15th Iranian Physical Chemistry Conference, شهریور ماه ۱۳۹۱

Accepted papers in 15th Iranian Physical Chemistry Conference

• Tautomerism and Dichroism in Anisotropic Media

• Nanoporous Materials and Its Applications

• Dynamics and Diffusion of N۲ and O۲ in Zeolite Li-LSX Studied by Molecular Dynamics Simulations

• Vapor-liquid interfacial properties of ionic liquids

• Molecular Dynamics Simulation of an Amine-Functionalized Imidazolium-Based Ionic Liquid

• Molecular Dynamics Simulations Studies of surfactant -Wrapped Single -Walled Carbon Nanotubes surface

• Study of the Imidazolium-Based [Tf۲N–] Ionic Liquids by Molecular Dynamics Simulations

• Interaction of Neutral and Ionic Metal Clusters with Noble Gas Atoms;Theoretical Investigation

• Theoretical investigation of the effects of solvent on the ۱۱Bu ۲۱Ag internal conversion decay in octatetraene

• Interaction of Highly Reactive Molecules C۴H۴, C(CH۲)۳ and (C۳H۳)- with Ƞ۵-Cyclopentadienyl Metal Complexes (Ƞ۵-C۵H۵)M. A Theoretical Study

• Calculation of Absorption and Fluorescence Spectra of Large Polyatomic Molecules

• Potential Energy Surfaces of He-CS۲, Ne-CS۲ and Ar-CS۲ Dimers : Second Virial Coefficient and Vibrational Energy Levels

• Effect of copper oxide formation on the kinetics and mechanism of oxygen reduction reaction on copper

• Electrochemical conversion of carbon dioxide to valuable products

• Study of Platinum loading effect on performance of GDE for Glucose Oxidation

• Effect of Activation Procedures on the Performance of H۲/ Air Proton Exchange Membrane Fuel Cell (PEMFC)

• Catalytic Decomposition of Natural Gas into the Carbon and Hydrogen

• Rapid Photogeneration of Silver Nanoparticles in Ethanolic Solution Using a Triblock Copolymer: A Kinetic Study

• The Aggregation Behavior of Dodecyl Betainate Gemini Surfactant using Viscosimetry and Dynamic Light Scattering

• Ruthenium Nanoparticles Supported on the Periodic MesoporousOrganosilica as Highly Effective and Recyclable Catalyst for the Aerobic Oxidation of Alcohols

• Scratch Resistant Sol-Gel based Nanocomposite Films on Polycarbonate: DMTA, Small Angle X-ray Scattering and FTIR Studies

• Nanoemulsion and Microemulsion Formulation for the Solubility Enhancement of valsartan

• Nonequilibrium electronic transport properties of Diphenyl ethynylene: Effect of anchoring groups

• Phosphonate monoesters as carboxylate-like linkers for metal organic frameworks

• Local Depolarization in Hydrophobic and Hydrophilic Ionic Liquids/Water Mixtures: Car-Parrinello and Classical Molecular Dynamics Simulation

• Recovery of formic acid from an aqueous solution by ۱- decanol at ۳۲۳.۱۵K

• Osmotic and activity coefficient of L –Serine in aqueous solutions of ionic liquid[cmmim][Cl] at T=۲۹۸.۱۵K

• Kinetic study of removal Tylosin from contaminated water by persulfate in the presence of immobilized silver nanoparticle

• Calculation of Transport Properties of Fluids Using MET and Appropriate Equations of State

• Kinetic study of uracil tautomerization in the gas phase

• High Solar Photocatalytic Degradation of Azo Dye Reactive Black ۵ (RB۵)by Bismuth Ferrite Synthesized via Ultrasound Method

• Twinkling star: A simple chemical oscillator

• A novel method for prediction of thermal decomposition kinetics in different temperature profiles

• Kinetic study ofreaction of ethane with radical of thrichloromethane

• Time-dependent charge reorganization of nonstationary π systems

• PARAMATICA: A MATHEMATICA Package for Biomolecular Force Field Development

• QTAIM ۶-center Delocalization Effect of 􀊌 Components of Electron Density on Local Aromaticity of Boron Nitride Sheets

• Mapping electron dynamics in molecular H۲ using HHG time profiles

• Computational investigation on the regioselective Sonogashira synthesis of ۶-(۴-nitrobenzyl)-۲-phenylthiazolo[۳,۲-b]۱,۲,۴ triazole

• Interactions of Coinage Metal Clusters with Histidine and Their Effects on Histidine Acidity; Theoretical Investigation

• Protonated Phenol :Electronic Properties

• Physical chemistry: from theory to application, from laboratory to industry

• Corrosion and scale inhibition of admiralty brass in cooling water system by aminotris-(methylenphosphonic) acid

• Electrochemical Investigation to Evaluate the Inhibition Effect of Schiff Base (Salpr) Against Magnesium Corrosion in Acidic Media

• Non-isothermal degradation kinetics of Un-irradiated and High Energy Protons Irradiated Polyvinyl Butyral

• Cylindrical DBD Plasma Reactor: Cracking of Petroleum Fuel Oil into Light Olefins

• Methane conversion to Hydrogen and Higher Hydrocarbons by Kilohertz pulsed plasma

• Conversion of Methanol to Light Olefins over Nanostructured Ce-MnSAPO-۳۴ Catalyst Synthesized via Ultrasound Method

• Energetic of single-walled armchair, zigzag, and chiral silicon nanotube and investigate of the effect of stress on melting point with use molecular dynamic (MD) simulation

• Experimental investigation on thermophysical properties of functionalized TiO۲-water nanofluids

• Chemical Oxidative Cutting of Multiwalled Carbon Nanotubes Arrays with Electromagnetic Waves

• Thermal conductivity investigation for CNT based polymer nanocomposites with effective structural parameters

• Formation of Hydroxyapatite-Titania Nanostructured Bio-Ceramic Films by Plasma Electrolyte Oxidation

• Preparation and Characterization of Micro/Nanocapsulescontaining TungOil and its Use in Self-Healing Coatings

• Structuraland magnetic properties of CoFe۲-xAlxO۴ nanoparticles

• Synthesis of NiMo Based Nanocatalysts over Al۲O۳ and ZrO۲ via Impregnation Method Used in Hydrodesulphurization Process

• Molecular Dynamics Simulation of Inhibition of Orotidine ۵’-Monophosphate Decarboxylase Protein by ۶-Hydroxy-UMP (BMP) Drug

• Partial molar entropy in nonextensive thermodynamics framework

• Experimental Investigation on the Solubility of CO۲ and H۲S in Some imidazolium-based Ionic Liquids

• Ionic association and solvation of the ionic liquid ۱-hexyl-۳ methylimidazolium chloride in molecular solvents revealed by volumetry and acoustic measurements

• Calculation of radial distribution functions for methane by wavelets in different temperatures and comparison with computer simulation results

• Dyeing equilibrium parameters of polypropylene/Clay composite fibers with disperse dyes

• Complexity of Density Dependencies of Thermal- and Internal- Pressure Compared to that of Total Pressure

• Modeling and experimental verification of the curing kinetics of an Epoxy/Polyaminoamide/Nano-glassflake systemby DSC

• First-principles study of Li adsorption in functionalized carbon nanotubes

• Viscometric study on the compatibility of poly(vinyl acetate)-poly(vinyl pyrrolidone) in solution

• Mass Calibration of Time of Flight Mass Spectrometer Using Alkali Salts

• Electron ( Spin & Charge ) and Nanoelectronics

• Quantum chemical studies on molecular structural conformations,energetic of methyl (methylene) silane

• A new method for exploring alien life

• Evolution of the free electron wavepacket near a nucleus

• Electrostatic Properties of Halogen Bonds

• Calculation of Rovibronic Transition Intensities for Diatomic Molecules

• An accurate CHARMM compatible force field for bisphosphonate pharmaceuticals

• Sum of Products Potential Energies Via Higher Order Singular Value Decomposition

• Theoretical studies of decomposition and reactivity of the C۳F۷OCH۲O radical

• Ab initio study of the effect of the cluster size on the chemisorptions of NTCDA on the Ag(۱۱۰) surface

• Calculation the structural parameters and DOS of TaB۲ compound with p۶/mmm space group using pseudopotential method

• systems up to high temperature and high pressure conditions

• An electrochemical investigation of the effect of nano sized TiO۲particales on cathodicdisbonding of epoxy-polyaniline coated mild steel

• Er۳+-PVC Membrane Sensor Based on ۳-hydroxy-N'-((pyridin-۲-yl)methylene)naphthalene-۲-carbohydrazide

• Modeling of Methane and Ethane mixture Gas Hydrate Formation kinetics based on Non-equilibrium Thermodynamics

• Experimental Study of theEffect of Hydrophilic Silica Nanoparticles on Foam Performance in Alkaline-Surfactant-Gas flooding

• A Comparative Synthesis of Ni-Cu Oxides over Al۲O۳-ZrO۲ Nanocomposite via Impregnation and Sol-Gel Methods Used for CH۴/CO۲ Reforming

• Co and Cu Doped Ni/Al۲O۳-ZrO۲ Nanocatalysts Treated by Non-Thermal Plasma and Used for Dry Reforming of Methane

• Surface tension prediction of binary mixtures by using scaled particle theory coupled with one fluid theory

• UV/Vis Spectral & Viscosity Investigation of Interaction Bis ۵-Phenyl Azo Salicyl aldehyde Ethylene di imin Cobalt (II) With Calf Thymus Deoxy Ribonucleic Acid

• Prediction of the rmodynamic prope rties of et hers and glycol ethers using a group contr ibution m ethod

• Inv estigation of thermodynamic properties of hydro carbons using an ext ended LJ potential-based Eo S at high temperature-high pressure con ditions

• Extrac tion of aro matic co mpounds from hydr ocarbon fuels by ionic liquids: a quantum chemical study

• Complexat ion of tri oxide tung sten and p-sulfonat ocalix[۴]a rene In aqueous solution

• A New Equation of State f or Alcohols

• viscometric st udies of b inary mix tures of formamid e with alkan-۲-ols

• Thermodynamic study of molec ularinter actions in binary s ystems

• Kineti c Studies for Adsor ption of Azure B Dy e over Synthesized Fe-ZSM-۵ and Co-ZSM -۵ Nanoz eolites

• Mixed ionic surfactant system for stable susp ension of multiwall ed carbon nanotubes

• N,N'-bis(۲-hydr oxy-۴-methoxysalic ylidene)- e thylenediamin by reflectance an d transmittance spectra.

• Determinatio n of the optical con stants Pd(II)complex of Schiff base ۶,۶ƍ-dimethoxy-۲,۲ƍ-[hexa ne-۱,۶-di ylbis(nitrilodimethy lidyne)]diphenolby reflectanceand transmitta ncespectra.

• Visc ometery and Spectral Investigation on Interaction of Cu(II)Salen Co mplex and Bovine Serum Alb umin: A Thermod ynamic ap proach

• T he study of electronic structu re of some organic nanoconductors

• Activity coef ficients o f major ions in Lake Urmia b rine at different temp eratures

• The apparent heat capacity and enthalpy of lake Urmia brine in different temperatures by using Pitzer equations

• Decolorization and deg radation of Reactiv e Orange۷ pollutan t by using oz onation method

• Liq uid + Liquid) Equilibria for (Water + Acetic aci d + Xylen e or M-xyle ne or O- xylene or P- xylene ): Experim ental Da ta and Pr ediction

• Using artificial neural net work top redict the specific v olume of polymeri c High temperat ure and h igh pressu re densit y predicti on of hydr ocarbons using artificial neural network method

• Physicoch emical evaluation of Microemulsion fo rmulations for Water+Ipm+Tween ۸۰+Isobutanol Pseudo-ternary System

• Investigation of Protein Albumin Partition ing in Aqueous Two- Phase Systems Containi ng Polyetylene Glycol and Ino rganic Salts

• Solubility product of salts in Lake Urmia brine at different temperatures

• Synergism/antag onism stu dies between antifo am-antihydrate us ing surface tension technique

• Investigation of surface p roperties of ionic liq uid/alcohol binary systems at various temperature

• Non-isothermal Cry stallizatio n Kinetics Study of Biodegradable Polyethylene Azelate/SiO۲ Nanocompo site

• Compariso n of H۲, C H۴ and C O۲ gas adsorption o n Boron N itride Nanoscrolls

• Effect of surfac tant solutions on m ethanol s ynthesis c atalyst preparation

• Surf ace protec tion of copper using organic compoun ds in acid ic media

• Corrosion inhibition of brass by two synthesi zed compo unds in F ormic acid

• The i nvestigati on of ۳-m ethyl ۴-[۱- (۴- meth oxy phenyl) methylidene] -۵-iso oxazolone and ۳- acidi c media.methyl ۴-[۱- (۴- dimethyl. ami no) phenyl] -۵- iso ox azolone as inhibitors on Mil d steel in a cidic med ia.

• The i nvestigati on of ۳-m ethyl ۴-[۱- (۴- meth oxy phenyl) methylidene] -۵-iso oxazolone and ۳-m ethyl ۴-[۱- (۴- dimet hyl amin o) phenyl ] -۵- iso oxazo lone as in hibitors o n Mild st eel in acidic media.

• DFT and Experimental vibrartion al analys is of Ofloxacin by Quantum liquid DFT calculation

• An investiga tion of Langmuir, F rendlich, and Tem kin isothe rms for neodymium rem oval by modificati on of polyethylene terephthalate (PET) fibers from environment al samples

• Viscosity dev iationof b inary mix tures of Dimethyl Carbonate and a homologous series of ۲- Al kanols at different temperatures

• Investigating th e impact of the onion change on the interaction p otential of ۱-buty l-۳-meth ylimidazol ium ionic liquids b y using the experimental pVT data

• Stud ies on cor rosion of copper-aluminum alloys in artificial s ea water

• Characteriz ation of Į- amylase in Ardabil honey

• Kinetic and Isothermal S tudies of Cadmium Sorption onto Poly (Ethylene Terephthalate) Fibers Grafted w ith ۲-Hyd roxy Propyl Metha crylate

• Adsor ption pro perties of ۲-hydroxy propyl methacryla te grafted onto poly ethylen eterephth alate fibers for removal of Cd (II) ions.

• Degr adation of Acid Blue ۱۱۳ as organic pollutants in aqueous media by ozonation.

• Harm onic balance method and the nonlinear ion trap

• Investigation of the rem oval of Basic Violet ۲ by the walnut sh ell from aqueous solutions: study of the experimental parameters

• ab initio Study of the Intr amolecular Proton Transfer Reaction in Imine - En amine Equilibrium : Effect of the electron dono rs and acceptors Substitutions on their Kinetics

• Intra molecular proton transfer re action in E nol- Keto ne equili brium: ab initio Study of the electron donors a nd accept ors substi tution effe ct on their kinetics and thermodynamics

• Fluor escence spectroscopic investig ation of interaction between DNP and hemoglobin

• Iran Hydroge n Economy: Proble ms and C hallenges

• Investigation of Bio–Na no Interaction betw een Sing le-Walled Carbon Nanotube and some of a mino acids

• Liquid-Liquid Equilibria for Ternary Mixtu re of (Wa ter + Acetic Acid + Meth yl Isobuthyl Ketone) at Diffe rent Tempereture

• A M ining Waste as a Catalyst fo r the Upg rading of a Hardwood Chip D erived Py rolysis Bio-Oil

• Experimental Study of theEffect o f Hydrophilic Silic a Nanopa rticles on Foam Performa nce in Alkaline-Surfactant-Gas flooding

• Conversion of CH۴ and CO۲ Mixture to Syngas over Ni/Al۲O۳-CeO۲ Nanocatalyst Synthes ized via Impregnation and Sol-Gel Me thods

• Utilization of greenhouse gases thr ough methane dry reforming over Fe-V۲O۵/ZrO۲ catalysts

• Sol-Gel vs. Imp regnation Synthesis of Ni-Cu /Al۲O۳ N anocataly st Used in Reforming of Meth ane

• Molecular Dynamics stady of diffusion of Haloca rbons in FAU zeolite

• A Co mputational Analysis of Interaction o f Different isomers of Curcu min with Protein Kinase Cį (PKCį )

• DFT study of the electr onic structures and energetic s of different isome rs of curcumin

• Computational investigation o n copper-a ssisted radioiodine exhange of Meta-iodobenzylguanid ine in ammonium sulfate matrix

• A Theoretical Study on the Structural Features of Bisphosphonate Pharmaceuti cals

• Direct Ab Initio Dynamics Study on the Reaction of CF۳CHFCF۳ with Cl Atom

• Quantum Chemic al Modeling on Active Rutile TiO۲ Cat alyst in Oxidative Couplin g of Meth ane (OCM ) Process

• Adsorption of CO Molecules on Fulleren e: A Densi ty Functional Theory Study

• Capacitive effect of C۲BN Bilaye r Nanosheet by co mputational chemistry method

• Ele ctrostatic Forces effects on aggregation behavior of CTA B surfacta nt around carbon nanotubes

• Theoretical study of the Substituent effe cts on O–H bond dissociatio n enthal pies of trans-resver atrol deriv atives

• DF T/B۳LYP study of the Antioxidant Properties of IRFI in t he Gas Phase and DMSO solvent

• Molecular dy namics studies on the intera ction of an ionic surf actants with adenosine deaminase

• Computational st udy of aza-adaman tanes as multivalen t bases

• Free ene rgy Calculations of the Mutation in a Membrane Protein

• Calculation of Water-E thanol Mixtures Autoprotoly sis Constants using ab initio methods

• N-H…S and S -H…N intramolec ular hydr ogen bond in ۴-ami ne-۳-pente ne-۲-thial

• Theoretical study of solvent effe cts on the conformational preference in E-Aminoacrolein and E-Thioaminoacrolein using PCM , IPCM and SCI-PCM methods.

• Stud y of H۲ a nd CO۲ adsorption on bare a nd functionalized d ouble-walled ca rbon nano tubes by molecular dynamics simulation

• Investigation of therm odynamic properties of Ni nanoclusters based o n Molecular D ynamics Simulations

• S ublimatio n Enthal py of Nano-Sized Crystals of HMX: A Molecular Dynamic s Simulation Study

• Predicting the effects o f basepai r mutatio ns in proline-rich h omeodomain (PRH)-DNA complex by thermodynamic integration

• The effect of electric fie ld on interaction of glycine w ith (۶, ۰) single-walled boron nitride nanotube

• T he computational study on t he effect of azobenzen linker on the dye

• Diameter effect on the adsorption of aqueous cetyltrimethylammonium brom ide surfactant on carbon nanotube: A molecular dynamics simulations

• Theoretical study of some aromatic compounds

• The oretical Study, Kinetics and Mechanis m Investigation Of The Reactions Between Triph enylphosphite, Dialkylacetylenedicarb oxylates And N-H Acid For G enerationOf Phos phonate Esters

• Mo lecular dynamic si mulation of dication ic ionic liquid: Eff ects of anion and cati on type on the liquid structure and tra nsport pr operties

• Molecu lar structure and i ntramolecular hydrogen bon ding of O rto Fetaleic Acid. A DFT stud y

• A DFT Study on Intra molecular Hydrogen Bond in Orto Hydroxy Ben zoic Acid

• Natural bond orbital (NBO) investigation of phase transition of confined water molec ules inside carbon n anotubes: a multis cale meth od from M D simulation to DFT calculation

• DFT calculations o f IR and NMR properties of ۴-(dim ethyl ami no)-۱-(trimethylsil yl) pyridin -۱-ium ch loride

• Barriers t o permeation of ions through nanotubes

• Computational Studie s of Fullerene Nan o Structures C۲۰( Ih ), C۲۴ (D۶d) , C۲۶(D۳h) , as H۲ Adsorbent

• Theoretical stu dy of Oxy gen Adsorption on Ni(۱۱۱) Su rface

• Investigation of solvation energ y and intramolecular hydro gen bond of ۱,۳,۴ -Oxadiazole-۲-thiol derivati ves in diff erent solvents

• Computational Study of ۱-silaa llene and ۲-silaallene

• SO۳-۲ ion adsorption on (۸, ۰) zigz ag Carbon Nano tu bes

• A dsorptio properties of biato mic gases on (۸,۰) zigzag Single-walled carbon n anotubes: a densit y functional study

• Quantum mecha nical study of intera ction bet ween ۳-m ethyl-۲-thioxoimid azolidin-۴-one and I۲ in the gas phase

• DFT, AIM and NBO analysis of ۴-methyl-۲-thioxoimidazolidin-۴-one tautomers and th eir complexes with iodine

• New grafte d zigzag ( ۱۰,۰) carbon nanotu bes with two phosp horamide s

• NQR study of two f unctionalized carbon nanotu bes with phosphoric triamides

• A DFT Study on Orga nic–Inorg anic Hybrid Compound by NMR in Gasa nd Solven ts

• Resonance at Intramolecular Cyclization i s Proven by Electr on Densit y of Atom

• A navel nan o Boron Nitrogen Carbon co mpound as an antibiotic carr ier and DFT Study

• B۵N۵C۸H۱۸ nano cluster as a novel material fo r drug de livery

• Theoretical studies on tautomerism of ۴-H ydroxyco umarin derivatives in gas phase and solution

• Calculation of Cl- -Ar Potential Energy and Mobility of Cl- Through Ar

• Stereoelectronic interaction effects on the conforma tional pr operties o f ۲-halo-۲-o xo-۱, ۳, ۲- dioxaphosphorinanes and the ir S, Se a nalogues

• A study of t he exchange and correlation energy of thiocyanate ion: DFT calculations within the symmetrized Kohn-Sham formalism

• Comparison of theoretic al metho ds for ab initio and DFT calc ulations of the frequencies of normal vibrations of thio cyanate ion

• An analytical potential energy surface for P۲-He dimer from ab initi oc alculations

• Adsorptio n of parent nitrosamine on the nanocrystalline M–zeolite

• Theoretical investigation of Nitrogen mustards using quantu m chemic al c alculation and neural network

• Cy totoxic ac tivity pred iction of ۲-chloroethylnitros oureas using quant um chemical study and sensitivity ana lysis

• Ev aluation t he Anti-Bacterial Activity of Some ۱,۲,۴-Triazole Derivatives through a Quantitative Structure Activity Relationship approach

• Relative pKb calcula tions of aniline derivatives in aqueous solution

• I nteraction of Oxazepam drug and sin gle-wall ca rbon nanotubes: A theoretical study

• A computational study of the behavior b ulk ionic liquid ۱-n -propyl-۴-a mino-۱,۲,۴ -triazolium bromide

• Molecular dy namic si mulation of Water confined in side carbon nanotube

• Density functional theory investi gation of interaction between single-walled car bon nanotube and amino acids

• Com parison of Hydro gen Bond interaction between Acetic a nd Propan oic acid Dimer with Density Functional theor y calculation

• Effects of electronegative group s F,Cl,Br on Hydro gen Bond intraction in Propanoic A cid Dime r using Q M.

• Study of ionic liquid and a single- wall carbon nanotube mixtures using molecula r dynam ic simulations

• Cal culation of diffusion and transport coefficient fo r ۱-n-prop yl- ۴- amino-۱, ۲, ۴- triazoli um bromide ionic liquid

• Mobility of gaseous io ns in noble gases: comparison of poten tial models

• Study Stability Com plex Mes o-tetra Arylporphy rinato Zinc & BF۳ With DFT Calculation results

• Study quantum me chanical calculations comple x HABA– and Li+ With a b initio & Thermo dynamic r esults

• Many-Body effects in some thermodynamic properties of CO۲, CO۲-Ar, and CO۲-CH۴ from molecular dynamics simulation

• The effect of Mercapto acetic acid adsorp tion on Si۱ ۴ silicon q uantum dot.

• Hybrid density functional t heory stud y and na tural bon d orbital interpr etation of conform ational b ehavior of methanedithiol

• Ab initio study of intr amolecular fluorine transfer in perfluoroguanidine

• A DFT stu dy of hyd rogen ads orption on Ln@B۱۶N۱۶ fullerene-like nanocluster (Ln: La, Gd and Lu)

• Dynamic Beh avior of Boron Nit ride Nanotube and Surfactant Complexes Mediated Molecular Dynamic Stimulation

• Molecular D ynamics Simulations Studies of surfactant -Wra pped Single - Wa lled Carbon Nanotubes surface

• Molecular modeling of ۱-ethyl-۳-methylim idazolium -based io nic liquids + H۲ S complex es

• Assignment of Absolu te Configuration of Fischeri n by Com puted NMR Ch emical Shifts

• Configuratio n Assignm ent of ۸Į-hydroxy-۱۳-hydro peroxylabd-۱۴,۱۷-dien-۱۹,۱۶;۲۳,۶ Į-diolide by Computed Chem ical Shifts

• A dsorption properties study thiazole att ached (۶,۰) zigzag single-wall ed boron ph osphide n anotube

• A DFT study of imidazole adsorption pro perties on (۶,۰) boro n phosphide nanotube

• Ab initio s tudies on the reactivity and thermal d ecomposition of the CF۳O CH۲O radical

• Theoretical studies o f decompo sition an d reactivity of the C۳F۷OCH۲O radical

• Covalent hy bridizati ons of car bon nanotubes – Graphene nanoribbo nsthrough pepti de linkages: A density functio nal appr oach

• Theoretical st udy of com plex for mation co nstant between ben zo-۱۵-cro wn-۵ and Mg۲+ cation at different temperatures

• Effect of aniline substitutions o n polyaniline HOM O/LUM O band gap

• Computatio nal mechanistic stu dy of met hanol and hydroperoxyl radi cal reaction

• Evaluation of cyclic (am ino)(phosphino)-, and cyclic (alkyl)(a mino)carbene effects on the second generation of Grub bs' catalysts

• Hydrolysis Reaction Me chanism of the Second Generation Anticancer D rug Carboplatin: An Ab-inito study

• DFT study of C۱۶ nano cluster as a novel material for antioxidant carrier

• C۷ Si۵ Ge۳ Nano cluster for vitamin C carrier and DFT study

• A QM/MM study of catalytic mechanism of human Glyoxalase I

• Quantitative structu re-activity relationship study ofdihydro pyridined erivatives bymetho ds topological descriptors and chemometrics

• A comparative study of B۳LYP in predicting of stability of N'-benzylidene-۲,۴-dichlorobenzohydrazide

• A comparative study of B۳P۸۶ in predicting of stability of N'-benzylid ene-۴-(dimethylam ino)benzo hydrazide

• Inve stigation of substit uent effects phenyl on the intramolecular hydrogen bo nd of methyl ۳-oxo-۳-phenyl propanoa te (MOPP)

• Investigation of intramolecularhydrogen b ond and study of conformers of methyl ۳-oxo-۳-phenyl propanoate ( MOPP)

• Conform ational sta bility, mo lecular structure, and Intra molecular hydrogen B onding of (Z) -۴, ۶-d ioxo-۶-ph enylhex-۲ -enoic ac id [ZDPE A]

• Density functional study of ternary B -C-N com pounds by NMR sp ectroscop y and NBO analysis

• Evaluation of the Host-Guest In clusion Complex Formation of Cucur bit [۷, ۸]uril with trans-[{ PtCl(NH۳)۲}۲(ȝ-NH ۲ (CH۲)۸NH۲)]۲+) Anticancer Drug

• Theoretical Calculations of the Host-Guest Inclusion Complex Formation of Cucurbit[n]urils w ith Multinuclear Platinum Anticancer Agent

• pplication of linea r and nonlinear QSAR metho ds for pr ediction of antitrypanosomal drugs activities of some ۱, ۲-dihydroquinolin-۶-ols and their ester derivatives

• QSAR study of p۳۸ MAP kinase in hibitors a ctivity of some pyridopyridazin-۶ -one derivatives using SR-A NN and GA-ANN

• Simulation of N۲-CO mixture using an a b initio p otential an d study of thermodi ffusion phenomena

• A quantum ch emical study on the structural and electronic properties o f ۴-Bromo-۲-[(۲, ۴-dichloro-phenyl imino)-me thyl]-phenol

• Determination of Acidic Dissoci ation Con stants of ۵´-GMPand ۵´-AMP in Water usin g ab initio Methods

• Vibration al Freque ncies of ha lo-derivatives of an iline: A D FT Study

• DFT study on the mechanism of the For mation of Monoden tate Acetate Comple x of Pallad ium(II)

• Use of ab initio m ethods to predict e xcess mol ar enthalpies by using therm odynamic s models for binary mixture of aceto nitrile + w ater

• Binding energy calcula tion and complex formation constant prediction of so me aza-crown ethers with Cd +۲

• Elect ron density analysis of noncovalent P… N interac tions

• A comparison of some p roperties of C=S a nd C=Se bond

• Structural an d energetic aspects of adsorb ed CH۴ on different single-wa lled carbon nanotubes, A DFT study

• Theoretical Study of Cooper ative effects in Į-gl ycylglycine clusters

• Interaction o f the Alk ali Metals with Graphene Sheet

• Calculation of ۱۳C NMR parameters of ۳-anilino-۲-nitrobenzo[b]thioph enes and Comparison with experimental

• A DFT study of Ga-doped in armchair and zigz ag models of boron phosphide nanotubes

• A computatio nal NMR study of BN-doped SiCnanotubes

• Molecular dy namics sim ulation study on t he interaction of metalated tetera sulp honated phthalocyanine wit h adenosi ne deaminase

• The effect of cationic and anionic phthalocyanines on the adenosine deaminase structure, molecular dynamics and docking studies

• Quantum mechani cal investigation of the catalytic mechanism and inhibition of the dinuclear zinc metallo -ȕ-lactamase by penicillin

• A DFT stu dy of ۱۷O NMR pa rameters of Benzyl ethers Components

• Configurational and conformational pro perties of ۱,۳,۷,۹-te trastanna - cycl ododeca-۱,۲,۷,۸-tetraene. A hybrid density functional study and natural bond orbital interp retation

• NM R parameters of Boron and Nitrogen doped in nano-size of Fullerene (C۶۰)

• Co mputational Study o n the interaction b etween B۱۲H۱۲۲- and Ca(C۶H۶ )۲۲+.

• Complete Gas-Phase Proton Micr oaffinity Analysis o f Two Aliphatic Linear Pentaamine Ligands

• Theoretical study on the mechanism of ure a hydroly sis catalyzed by Pd(II)

• Effects of electron donating and electron withdrawing substit uents on the nature of C=N bond in Z and E isomers of R-CH= N-R com pounds: A computational study

• A theoretical study on the Diels–Alder reaction of ۲-nitroindolizines

• Ion-pairs for med in ([ Mim+][N(C N)۲í]) ion ic liquid: A quantu m chemistry Study

• Cis-enol tautomerism of Ethyl-۲, ۴-dioxo-۴-phenyl butanoate: A theoret ical study

• The conforma tional and vibrational assign ment stu dies of ethyl-۲, ۴-dio xo-۴-ph enyl butanoate

• Determination of acidic Dissociation Constant of L-Alanyl-L -Alanine in w ater Usin g ab initi o Methods

• Prediction of retentio n index of atmosphe ric volatile organic compoundsdataset using QSPR methods

• El ectron Density Analysis of Un usual Oxygen-Oxygen Bonds in Benzo yl Peroxide

• Ev aluation of Chemical and physical properties of copper ions in bor on nitride nanotube

• Investigation NMR and N BO properties of B ۱۲N۱۲ nanotube

• Interaction b etween selenium analogues of methimazole and Mz+ (Na+, Li+, K+, Be۲+, Ca۲+ and Mg۲+): A qua ntum chemical study

• Taut omeric p ropertis o f a Schiff base drived from thiosemicarbazide and ۵-chloro salicylaldehy de : NBO and AIM analyses

• Methoxy position effect s on donor and acceptor interactions in schiff b ases derive d from ۵- amino-thi adiazole-۲-thiol

• Applicati on of a two-dimensional potential function for ca lculating tunneling frequency o f tropolo ne

• Quantum stdy of effect of inhi bition som e Schiff base compounds in the mild steel corrosion in Sulfur ic acid en vironment

• Computati onal Insights of Gas Phase Cluster Ion s: Chloride Ion w ith (CH۴-m Clm) (m=۰-۴)

• DF T/B۳LYP Study of the Substituent and Solvent Effects on the Reaction Enthalpies of Homolytic and Heterolytic N– H Bond Cleavage in Melato nien Derivatives

• The influence of aliphatic amino acid side g roups on the acidity of Lysine by density functional theory

• DFT study of interactionof nitrousaminew ith single-walled BN nanotubes

• Inve stigation o f the addition-cyclization reaction bet ween dialkylacetylenedicarboxyl ates and t hiourea: A theoretical study

• A dsorptionof formam ide on si ngle-walled BN nanotubes: A DFT stud y

• Interaction be tween different cations with tautomer ic forms of thiocytosine

• A DFT stud y of the structure a nd electr onic prop erties of Benzoxazole

• DFT study of the str ucture an d electronic properties of ۴-Bromo-۲-(۲ , ۵-dichloro-phen ylimino)-m ethyl]-ph enol

• Investigation on the Ability of Di fferent Generations of Density Functionals to Pre dict the Structural Properties of VO(Salen) Co mplex

• Theo retical Study of a D i-Copper(I) Macrocyclic Co mplex Bea ring Bro mide Bridges

• A Reliable Simple Cor relation fo r prediction of the flash point of aliph atic amin es from molecular contributions

• Elec tron don ating and electron w ithdrawi ng groups effects at ȕ-positio n of seve n membered ring C۶H۷MX ( M=C, Si , Ge , Sn , P b) using c omputational method

• Steric effects on the Singlet–Triplet Energ y Gaps of Seven Membered R ing R۲C۶H۶ M (M=C, Si , Ge).

• HOMO-L UMO Energy and NBO Analysis on Chemical R eactivity Description of Some Derivati ves of ۱-P yrazolines

• Kinetic Is otope EffectsInvest igationon the Mech anism of Nitrogen Extr usion from ۳-Methyl-۱-Pyrazoline

• A Density Functional Theory and QTAIM-Based Study of the Physical Propert ies of [M(dipic)(H۲ O)۳], (M=Fe, Co, Ni, Zn) Com plexes

• S tudy Stab ility Nove l Complex of Diimine and B oron Triploids With DFT Calculation results

• Appli cation of Transition Metal Su bstitution s in Biosensors

• Intermolecular Forces inImidazolium-b ased Ionic liquids: QTAIM a nd NB O Analy sis

• Tautomerism of new az o-azomethine ligand in the gas phase a nd in solution: TD -DFT study of the electronic spectra and therm odynamic paramete rs

• Investigation of vibrational modes and intramolecular hy drogen bonding in Quinizari n

• H-bon ded complexes of ur acil with ۱ nitrosop yrrolidin – ۲ ol

• A De nsity Functional T heory (DFT) Study on the Tautomeris m of ۲-Am ino-۶-methyl Pyrimidine-۴-one: Solvation Effect and NBO A nalysis

• Th eoretical Investigation of Solv ent Effect on Arom aticity of ۷-Azaindole

• Interactio ns of Glutathione tripeptide with gold cluster: Influence o f intramolecular hydrogen bond on complex ation beha vior

• Conform ational as pects of Glutathion e tripeptid e: electron density topological & natural bond orbital analyses

• Stereoelectr onic interaction effects on the structural and configurational properties of radicals derived from thiacyclohexane ۱-oxide sele nacyclohexane ۱-oxide. A Hybrid density functional theory study and natural bond orbital in terpretation

• Calc ulation of the pKb values of so me Anili ne derivatives in D MSO solution

• Influence of Multiple & Cooper ative Hyd rogen Bon ding on the Acidity of Polyhydro xylated Piperidines : Electron Density T opologic al Analysis

• A NMR stu dy of Ge and As-doping in (۴, ۴) Armc hair and (۸, ۰) Zigz ag form s of boro n phosphide nanotubes

• H eavy metal (Co۲+, C r۳+, Ni۲+, Pb۲+, Zn۲ +) comple xation by Calixarene, supramolecular nano organic material: chem ometric analysis

• Configurational beh avior of ۱,۲-diphenyldistiben e. A hybrid-density function al theory study and natural bond orbital interp retation

• The role of L-histidine in the activation of carbonic anhydrase enzyme : A q uantum mechanica l approch

• A QTAIM study on carbon-doping at different sites of (۸, ۰) BNNTs

• Molecular dy namics simulation and free e nergy pe rturbation to calculate free ener gy of solvation for carbon nanotube

• CHARM M General Force Field Parameterization for C urcumin

• Theo retical investigation on Tautomerism and NBO Analysis of ۳-hydro xyl-l,۲,۵-thiadiazole Derivati ves: Solvent and Substitute Effects

• A D FT Study of Solvati on Effects and NBO Analysis on the Ta utomerism of ۳-su bstituted ۱H-pyrazol-۵(۴H)-one

• A computation al ۲۷Al and ۱۵N NMR Charac terization of AlnN n clusters with n= ۱۲, ۱۶, ۲۸, ۳۶ and ۴۸

• A theoretica l study on the react ion mechanism of NH۳ with OH radic al.

• Complexation of cryptand(۲۲۲) with Li+ a nd K+: AIM and NBO analyses

• AIM, NBO and HOMO-L UMO Analysis of ۱ ,۱/-(Ethan e-۱,۲-diyl)dipyridinium b is(iodate) (EDB) by Density Functional Method

• A C harge Density Anal ysis of Pro tein-Ligand Bindin g in the active site of FP PS enzyme

• Investigat ion of vibrational spectrum and intra molecular hydrogen bonding in Danthron

• Modeling o f vibratio nal spectr a for prim ary alcohols: DFTc alculatio ns

• A theoretica l investigation on t he stability of several endohedral mixed-metal nitride cluster fuller enes using DFT

• Mixed Micelliz ation of Gemini Surfactants and Conventional Surfactan ts: A Monte Carlo Simulation

• Theoretical study of five different porph yrins as sensitized dyes on Ti O۲ nanostructure solar cells

• Theoretical Study of Phe a, p he b and Phe a-Ph e b Chloro phyllous molecules for Dye sensitized solar cells (DSSCs)

• DFT study on the electronic pr operties of the nanodiamond (C۲۴) with doxo rubicin d rug

• Some ther modynam ic proper ties of fluid SF۶ using a new HFD-like p otential including th ree-body interactio ns: The i nversion method and m olecular dynamics simulation

• Many-Body effects in some thermodynamic properti es of CF۴, CF۴-Ar, and CF۴-CH۴ using HFD-like potentials from molecular dynamic s simulation

• Drastic influence of the intramolecular cat ion-ʌ interaction o n the basi city of selected amines: AIM a nd NBO analysis

• Influence of boron atom on the acidity o f alcohol in both ga s phase an d solution phase, A DFT study

• Q uantum mechanica l study of antioxida nt ability of rutin (vitamin p) ag ainst heme

• Theoretical in vestigatio n of the i nteraction s between Li atom and eleme nts from first to fourth rows of periodi c table

• A Density Functional Theory ( DFT/B۳L YP) Investigation o f Charged Thiophene Oligomers

• Tautomeris m and Minimum Po larizability Princip le

• QS PR Calculation of D ensity of Som Orga nic Comp ounds Use of Mult iple Lin ear Regression (MLR) Method

• An Improved QSPR S tudy of ΔfG۰ of Som e Organic Molecules Based on AM۱ Calculation

• A Theoretical Study on the C ۲H۲ + NO reaction

• A qu antum chemical st udy on the structur al and ele ctronic properties of (۲, ۶-Dichloro-be nzylidene )-(۲, ۴-dic hloro-ph enyl) – am ine

• NBO Analysis of Fe (III)-salen and Fe (III)-salen-li ke complexes as potent anticancer agents

• Effe ct of Cu in sertion o n the stru cture and electronic properties of small Rh clusters: A DFT study

• Stud y of Hyd rogen RD F on C۲۰, C۱۹B an d C۱۹Si F ullerene Nanocages at Different Tem peratures and Press ures

• Dyn amic ۱H NMR and Theoretic al Study of Carbon -Carbon Double B ond Rotational En ergy Barrier in Sta ble Phosp horus Ylid e Drived from Trie thyl phosphate

• th eoretical investigation of ۴-nitroacetanilide from the reaction between trialkyl phosp hite and dimethyl acetylened icarboxylate

• Dyna mic ۱H NMR along Doub le Bond in the New with The oretical Study arou nd the C arbon-Ca rbon Stable P hosphoru s Ylide Derived fro m Hexam ethyl Phosphorous Triamid

• Linear an d nonlinear optical propertie s of stilba zolium de rivatives

• A b initio calculations of pyridi ne chloro derivatives and their ۳۵CI NQR parameters

• Molecular dynamic simulation of Hum an Lysozyme: insig ht into the thermal s tability of enzyme

• A compar tive stud y of chemical shifts in ۲-substitude pyrrole stable pho sphorus y lide: ۱۳C and ۱H N MR GIAO c.s meth ods

• Theoretical Studies of Kineti cs and Mechanistic investigation of the Rea ction Between Trip henylphosphine, Dimethyl a cetylenedicarboxyla tes and ۳-chloroacetylacetone

• C hlorine A dsorption on Fuller ene: A Density Functional Th eory Stud y

• The effect of parallel e xternal el ectric field on the aromaticity by density functiona l theory a pproach

• Tautomeris m of ۶-azauracil in the gas phase and i n methano l and water clusters: A theoretical study

• Theoretical study on hydrated an d self-assisted proton transfe r mechanism in ۴-met hyl ۲-thioimidazole

• A co mparative study of carbon, boron-nitride and silicon-carbide nanotubes based on surfac e electrostatic potential and Q TAIM an alysis

• Study of Electronic and Dynamical Properties of Selenium Nanowires using Quantum Mechanic s Method

• The modeling of intermolecular potential C S۲ - CS۲ dimer using neuro – fuzzy methods

• The effect of acidic environment on the repair proces s of O۶ m ethyl guanine b y cysteine

• Quantum chemical computat ional stud ies on ۲-[(۴Me thoxybenzyl)iminomethyl]ph enol

• Comparing Anomeric Effects of halo[۱,۴]dioxane and halo[۱,۴]dithian in Solvent and Gas Phases

• On the natu re of Mg -L interactions (L= BF, CO, N۲, NH۳ a nd H۲O): A sym metric-a dapted perturbatio n theory ( SAPT) stu dy

• E ffect Br substitutio n on the s tructure and intra molecular hydrogen bonding streng th of naphthazarin: DFT an d NBO stu dies

• A theoretical studyon the Gibbs free energyof t he solvatio n of C۶۰, H۲O@C۶۰, C l¯@C۶۰, K +@C۶۰in water, ac etonitrile, CCl۴ and chloroform solutions

• A theoretic al study o n the inter action of HF@C۶۰ w ith [Al(H ۲O)۶]۳+ an d [Mg(H ۲O)۶]۲+ c ations

• Rotation aroun d the C۳ sy mmetry axis in ʌ-cation-ʌ sy stems

• The mutual relationship between H-bonding and cation…π in teractions in cation:(G...C) co mplexes

• Coc rystallization of theophylline with carboxylic acids

• The estimation of halobenzenes aroma ticity using NBO calculations

• Molecular structure a nd frontier orbitals HOMO-L UMO stu dies of some unsy mmetrica l ۱,۴-dihydropyridine using density functional t heory method

• De terminati on of Acidic Dissociation Constants of ۵´-IMPand ۵´-UMP in Water using DFT Methods

• Nitrogen-Containing Heterocyclic Comp ounds Amination: DFT Energy Level alignment

• Structures and Electronic Propertie s of Aluminium Na nowires E ncapsula ted in Sin gle-walled Boron N itride H-capped an d open en d Nanotube

• Hy brid density functional theor y study and nuclear magnetic resonance a nalysis of the decom position reaction of but-۳-en-۱-ol and its analogs containingS and Se

• A theory of mode of act ion of Glycyrrhizin and Glycyrrhetinic Acid as D NA and RNA binding agents using automated flexi ble ligand docking

• Synthesis and molecular dynamic sim ulation of methyl o ctanoate a nd methy l perfluor ooctanoate

• Stud y of the transverse electric field effect s on elastic modulu s of nanotubes by density function al theory

• The A IM Anal ysis of Isomers of F OX-۷

• On the effect of substituents on t he Natur e of the C ŁC Bond i n R۳E-CŁC-ER۳ (E=Pb; R =H, F, Cl) compounds

• Conformational behaviors of ۲-m ethyl-۱,۳,۲-dioxaphosphorin ane. Ahy brid density func tional theory study and natural bond orbital interpretatio n

• A physical properties a nd phase diagram investigation of clay-sand syste m

• Boron-Substit uted C۲۰Cage and B owl Fullerene Structures;Can They be one of the options for C l۲ Adsorbent? A D FT Study

• Qu antum mechanical study of a dsorption of CO on graphene; A Hybr id DF T calculation

• A theoretical study on bonding and ener gy aspects of [Ln(D OTA)]- a nd [Ln(DOT A).H۲O]- complex es (Ln=Eu۳+, Ho۳+)

• A DF T investigation on the spin–s pin couplings acro ss the hydrogen bon d in no n-steroidal anti-inflammator y propion ic acid derivatives: Iboprofen, Naproxen and Flur biprofen

• A QSAR study on biolo gical activities of p olyamines as anti - alzheimer drugs

• (E)-۳-X-Indoline- ۲-thiones in solution vs. gas phase at D FT levels

• Stable heavier cyclonona-۳,۵,۷-t rienylidene congene rs and its halogenated derivatives, at DFT

• A t heoretical predicti on of stabi lity of no vel carben es

• The oretical Study of Free Activa tion Ener gies of Electron Transfer Process in Nano-co mplexesofmeta and para-Di-phenyl-met hyldene- Fluoresce nt withFulleren es

• The oretical Study of Free Activa tion Ener gies of Electron Transfer Process in Nano-co mplexesofmeta and para-tetra Bis ۳,۴- tetra phenyl ethylen s withFulleren es

• QS AR investigation on quinolizidinyl der ivatives i n Alzheimer’s disease

• Configurational properties of ۱,۲-propadiene, ۱-ger ma-۱,۲-pr opadiene, ۱.۲-digerma-۱,۲-propadiene and ۱,۲,۳-trige rma-۱,۲-propadiene . A hybrid density func tional theory study and natural bond orbital interpretatio n

• Theoretical Studies on Complete Gas-Pha se Proton Microaffinity Analysis of Three Linear Aliphatic Hexaamine Ligands

• Th eoretical S tudy on the Nature of CŁC B ond in R ۳E-CŁC-ER۳ (E=C, Si; R=H, F, Cl) Compounds

• The ano meric effect in Į-halo-O-oxime ethers; effects of different substitutio ns with different electronic p roperties

• Comparing the anome ric effect in Į-halo ether and Į-halo-O-oxime eth er com pounds; DFT and NBO stud ies

• Dy namic Beh avior of Boron Nit ride Nanotube and Surfactant Complexes Mediated Molec ular Dynamic Stim ulation

• Sepera tion of C o۲,So۲ from Ch۴ in AIN ( Aluminium Nitride Nanotube )

• A DFT stu dy on the fluorinated derivat ives of bo ron, alum inium, an d nitrogen substituted cyclic carbenes

• A DFT stud y on the mechanis m of Gold -catalyzed methanolysis of ۱, ۵ enynes

• A n ovel intera ction bet ween Protein Z and Z-depen dent Prote ase Inhibitor complex

• Theoretical study on the mechanism of the reaction of ۱, ۵ enynes having a Si atom with nucleophiles catalyzed by Gold complexes

• Relation between the substituent effect and arom aticity in imidazole derivatives: a compar ative stud y

• Existence and characte rization of HO۳-CH۳OH Com plex: A computati onal study

• A computational stud y of interaction between Acetylene & hypohalous acids

• Effect of hydration on the mechanism of pro ton transfer in Oxozolidinethiones

• Tautomeris m of hydr ated and d ehydrated barbitu ric acid: A theoreti cal study

• Qua ntum mechanical study on t he mechanism of Le wis acid-catalyzed ene reactions of formaldehyde

• Prediction of Microscopic Protonation Constants of Hematoxylin Vi a Computational M ethods

• Solid-st ate struct ures of two conform ers of N-(nicotinyl) N,N'-bis(cy clopentinyl) phosphoric tria mide; insights from X-ray cr ystallography and D FT calcula tions

• Investigation of Fullerene effect on reactivity of Methyldopa with NMR parameters

• DFT/NBO A nalysis of Complexes between Nanotube s and Anti-HIV Dru gs

• Thermodynamic Functions of Complexes between Nanotubes and Anti-Cancer Drug s: A Theo retical A pproach

• Quantum mechan ical Inve stigation o n the Inte raction Between Nitrobenz ene and N anotube

• Influence othe Stru ctural Properties of Swcnts in Phenol A dsorptio n: Density Fu nctinal Theory Stud y

• F unctionalization of boron nitr ide nanotubes with NH۲CO and COO H functional groups

• Molecular dynami c simulati on study o f structur e and dyn amics of asy mmetrical dicationi c ionic liq uids

• Enzyme molecular mechanis m of O-GlcNAcase by small molecule inhibitors: A qua ntum mechanical a pproach

• Enantiomerization energy profile of methyl propargyl ether and its analogs containing S and Se atoms. A H ybrid density functional theory study and natural bond orbital in terpretation

• Donor-Acce ptor interactions between Be nzocryptand(۲۲۲) and Ca۲+ and Na+

• Introducing th e Shannon – Fukui Index as a Measure of Stability in Nucleic Acida

• Density functional theory (DFT) Based Study Of S olvent Effect On B۱ ۰N۱۱ And B۱۰N۱۱H۷ (Gly)۲ Nano Struct ures

• Density func tional efficiency in the calculations of molecular N,Nƍ-bis(۴-hydro xy salicylidene)-diet hylenetriamine

• Theoreti cal Study of Interaction of Schiff Base (Salpr) with Mg ۲+ Cation as a Corrosion Inhibitor

• DF T study o f the ۱, ۳ dipolar cy cloaditio n reactions between alkyne a nd diazo compounds

• Co mputational study of some s elected ۱,۳ dipolar c ycloaditi on reactions

• AQSAR St udy on Bi ological Activities of Diketo C ompound s as HIV-۱ integrase inhibitors

• Q SAR studies on some marine natural al kaloids a s anticancer agents in cancer leuke mia

• Interaction en ergy investigation of some aromatic hydrocarbo ns on oxidized m ultiwalled carbon nanotube s

• Ab initio calculation of intermolecular po tentials &predicti on of seco nd virial coefficients for van der W aals com plex CH۴-N۲

• How the Struc ture of Interferon- Alpha, Responds to Temperature Cha nge? “A Molecular Dynamics Simulation Study”

• Mechanism of Acti on of Anti-cancer drug with DNA: A th eoretical approach

• Interacti on of CO with SiCnanocluster surface

• A Theo retical Appruach to the Gibberellic Acid (GA) Effect on Monoterpene Distribution in Rubus Caesius

• Experimental and theo retical study of a new diazap hospholane compound: (ClCH۲CH ۲)۲NPO[H N(CH۲)۲ NC(O)C۶H ۴(p-NO۲)]

• Molecular dynamic simulation study o n native and glycate d form of myoglobin

• Synthesis, physico-che mical prop erties an d theoreti cal calcula tion of [۱-(۲-chl orophenyl)-۳-(P-methyl phenyl)triazene] as a ne w asymme tric triaz ene

• Structural characteristics of a damaged DNA

• Determination of stable structure for Tr yptophan cage usin g Molecular dyna mics simulation

• Elucidation of chemo- and regioselectivit y in the alkylation of ۶-methyl uracil usi ng GIAO/۱۳C NMR

• Modeling the Molar D iamagnetic Susceptibility of Diverse Aliphatic Organic Compounds via Molecula r Descripto rs

• Mole cular str ucture an d resonan ce interactions effects on NMR tensors and NQR frequencies of halluci nogenic a nalogues

• Th eoretical S tudy of acetylene Adsorption Energy o n Nano M etal Crys tal

• T heoretica l Study ( DFT) Of G as Adsorption On Nano Metal Crystal

• Configura tional be haviors of ۱,۲-dihal osilaethene. A hybrid density functional theory study an d natural bond orbital interpretation

• Synthesis, characterizatio n and theo retical st udy of som e new phos phohydrazides

• Qu antum ch emistry studies on reactivity of the levo-dopa drug linked to to c۶۰

• Mol ecular Dynamics Simulations Study of Two Single Mutati ons of Coil ۲B of Hu man Lamin A/C

• St udy of the glassy temperature of dicationic ionic liquid by molecula r dyna mic simulation

• T heoretical study of g eminal dicationic ionic liqui ds ۱ ,۳- bis[۳- methylimidazolium-۱-yl]butane halides

• Monte Carlo Simulation of Na nostructu red Adamantane Self-assembly

• Qua ntitative correlations between the vibrational frequencies and electron delocalizatio ns in ۲-D-۱,۳-dioxane, -dithi ane and –diselenan e. A hybrid-density func tional theory study and natural bond orbital interpretatio n

• Conformation al behaviors of ۲-halo-۱,۲,۴, ۵-tetrahyd robenzo[d]oxepines. A hybrid-d ensity fu nctional t heory stud y and natural bond orbital interpretations

• Stereoelectro nic intera ction effects on the conforma tional properties of cis-۵-tert-bu tyl-۲-phosphinoyl-۱,۳-dioxane, -dithian e and –diselenane

• Study of Sing le and m ulti-walled Carbon Nanotubes as filter of vanadium by computational chem istry method

• Study of Singleand multi-walled Carbon N anotubes as filter of vanadiu m by computatio nal chemis try meth od

• Stud y of the solvent polarity impacts on the stability of Erythr omycin ethyl s uccinate by means o f hybrid density functional theory based metho d

• Molecular Dyna mics Simulation of S ome Organic Compounds Solu bilization into the Nanometric Core of CTAB micelle

• In vestigatio n and com pare of a ntioxidant properti es of some of phenolic compound by d ensity fu nctional th eory

• DF T study o f antioxid ant prope rties and the reactivity of O H groups on saffron petals

• Com putation al investigation of plausible s pecies in l inkage isomerization of nitro- and nitrito-pen taamminecobalt(III) complexes

• HO MO-LUMO calculation of Novel ruthe nium mult icarboxylic acidfor dye s ensitized solar cell a pplicatio n

• Theoretical studies on tautomeri sm of (N- N) ۶-Hydroxide ۵-Flourocytosine

• Nicotine Ad sorption Capacitie s of Single-Walled Carbon N anotubes: a Ste ered Molecular Dyn amics Stu dy

• Why bis (۱,۲,۴,۵-ben zentetracarboxylic) nitrato ruthenium (II) is not suitable case for dye sensitized soalr cell application?

• MP۲ Study the Kinetics and Hardness Profile o f SN۲ Re action in Haloalkanes of Cl- and Br-:t he Effects of CH۳ Group Sub stitutions

• Steered Mole cular Dynamics Sim ulation of Adriam ycin Dr ug Uptake by N-iso propylacrylamide Copolymers

• Interaction of CO with B Nnanoclu ster surf ace(Corrected)

• Interacti on of CO with BN nanocluster surface

• Theore tical molecular structure and vibrational freque ncies of TlX۳( C۲H۶OS)۲ (X = Cl, B r, I) com plexes

• Spectrophotometric determination of acidity constants of Tho rin in water, Water-Triton X-۱۰۰, water-Brij-۳۵ and water-C TAB micellar mediasol utions by chemometrics method

• Investigation on Meta losalen C omplexes Binding to ct-DN A using UV/Vis spectroscopy

• Viscometery a nd UV/Vis Spectra l Investig ation on Interaction of Bis ۵-Phenyl Azo Salicyl aldehyde E thylene d i imin C obalt (II) With Calf Thymus Deoxy Ri bonucleic Acid .

• Viscosity Behavior of Glass-forming Liquids and Fluid ity Equation

• Protonation Constants of ۵'-IM P in Diffe rent Aqueous Solutions of Methanol

• Density calculation using an extended LJ potential-based equation of state for quantum light molecules at supercritical region

• Study Of Ni(II)-G lycinamide Complex Formation By Spectrophotometric Method In Various Temperatures And pH=۴.۰ , I=۰.۵

• Modelling the Vapor-Liquid Equilibria Using Modified van der Waals Family Equations of State

• Excess Molar Enthalpies of isobutanol (۱) + ۱-alkanols (C۱–C۳) (۲) at ۲۹۸.۱۵ K and Correlated with NRTL model

• Heat of mixing of binary mixtures consist of butylacetate (۱) + ۱-alkanols (C۱–C۳)(۲) at ۲۹۸.۱۵ K and ambient pressure

• A systematic study on the salting effect of some kosmotropic salts on some aliphatic alcohols: study of the phase separation ability using cloud point titration method

• Experimental and theoretical investigation of ATPSs composed of some aliphatic alcohols + disodium tartrate + water at T = ۲۹۸.۱۵ K

• Phase Behavior for the Aqueous Two-Phase Systems Containing Tetrabutylammonium bromide and Kosmotropic Salts

• Calculation of liquid densities for binary mixtures of n-butane and isobutane using by ISM equation of state

• Solvent effects on protonation of trimetoprim in different aqueous solutions of methanol

• Astudy of solvent effect on protonation constant of pyridine carbaldehyde in Different Aqueous Solutions of Methanol

• Study of complexation of dioxouranium(VI) ion with Isoleucine

• Investigation of Thermodynamic Properties of the Ternary Electrolyte System Based on Pitzer Model at T=۲۹۸.۱۵

• Solvent Effects on Protonation and Complexation of Histidine with Molybdenum(VI) in Different Aqueous Solutions of Methanol

• Thermodynamic study of molecular interactions in binary systems

• Densities and derived thermodynamic properties study for the binary mixtures of (۱-hexyl-۳-methylimidazoliumtetrafluoroborate + Aminopropanol, or isobutanol) at different temperature with application of the PFP theory

• Thermodynamic properties study for the binary mixtures of ۳-amino-۱-propanol+ isobutanol, ۲-propanol at temperature range of ۲۹۳.۱۵-۳۳۸.۱۵ K: Experimental results and application of the Prigogine–Flory–Patterson theory

• Thermodynamics and excess properties of {trichloromethane + amines} at (۲۹۳.۱۵, ۲۹۸.۱۵, ۳۰۳.۱۵ and ۳۰۸.۱۵) K. Experimental results and application of the Flory theory.

• Determination of macroscopic protonation constants of L-alanine in aqueous solutions of ۱,۴-dioxane

• Solvent Effect on Tautomeric and Microscopic Protonation Constants of Glycine in Different Aqueous Solutions of ۱,۴-Dioxane

• Bind ing and s pectral i nvestigati on on interaction of Cu(Pir ox)۲(DMF)۲ with ct-D NA : A T hermod ynamic a pproach

• Investigation on ct-DNA thermal denaturation in interaction with Cu(Pirox)۲(DMF)۲

• Experimental and correlated tie-line data for aqueous mixtures of Formic acid with ۲-ethyl-۱-hexanol at T=۲۹۸.۲ K.

• (Liquid + liquid) equilibrium for ternary system of (water + phenol + cyclohexanone) at T=۲۹۸.۲ K

• Solvent Effects on Protonation Constants of nicotinek acid in Different Aqueous Solutions of ۱- etanol

• Solvent Effects on Protonation Constants of trimetoprim in Different Aqueous Solutions of ۱-propanol

• Thermodynamic Stability of mouse Ribonucleotide Reductase R۲ Protein

• Study of dielectric behaviour of binary mixtures of cyclohexanol with cyclohexanone at ۲۹۸.۲ K

• Refractive indices for aqueous solutions of ethylene glycol, D-mannitol, D-fructose, sucrose and maltose at T = ۲۹۲.۱۵ K and atmospheric pressure

• Study on the thermodynamic properties of binary systems of water + sodium thiocyanate, sodium bicarbonate, sodium acetate and sodium citrate at T = ۲۹۲.۱۵ K and atmospheric pressure

• HSA-FCCP interaction: Aggregation behavior of HSA-FCCP complex

• Excess molar volume of Binary mixtures of۲- Butanol , Cyclohexanon,Methylcyclohexane

• Thermodynamic study of molecular interactions in binary systems

• Thermal Stability of Hen egg white lysozyme (HEWL) with Ni(II)salen

• Determination of thermodynamic and thermoacuatic parameter of binary mixtures {methyl acrylate + benzene, + toluene, + o-xylene, + m-xylene, and p-xylene} at different temperatures and application of the Flory theory

• Complexation thermodynamics of dioxovanadium(V) by calix[۴]arene in solution

• A DFT study of ۱۷O NMR parameters of Benzyl ethers Components

• Thermodynamic study of heterogeneous interactions in the mixture of ۱,۲-Butanediol and ۲-ethyl-۱-hexanol through dielectric data at T = (۲۹۸.۲, ۳۰۸.۲ and ۳۱۸.۲) K

• Thermodynamic analysis of single and two-step oxidative dehydrogenation of propane with carbon dioxide

• Thermodynamic study of poly(vinyl alcohol) solutions by viscometry

• The effect of poly(ethylene glycol) on the volumetric and acoustic properties of sodium dodecyl sulfate in aqueous solutions

• Thermodynamic properties of surfactant Sodium ۱-hexanesulfonate in water and in Aqueous Solutions of Poly(ethylene glycol) at Different Temperatures

• Thermodynamic study of molecular interactions in binary systems

• (Liquid + liquid) equilibria for ternary mixtures of (water + butyric acid + organic solvent) at T= ۲۹۸.۲ K

• Viscosities of Binary Mixtures of N, N -Dimethylacetamide with homologe series of ۲- Alkanols

• Thermodynamic study of interactions between N, N-dimethylacetamide and homologe series of ۲- Alkanols

• The study of osmotic coefficient and activity of ۱-buthyl-۳-methyl imidazolium chloride in lithium bromide aqueous solutions and their corresponding binary systems at ۲۹۸.۱۵ K.

• Thermodynamic study of molecular interactions in binary systems

• A New Perturbed Hard sphere Chain Equation of State for Binary Mixtures of Refrigerants

• Volumetric properties of binary systems of benzylamin with methanol , ethanol and ۱-propanol at different temperatures

• Density calculation for liquid alkali metals over the whole liquid range

• Thermodynamic properties of three binary systems consist of diethylketone, ۲-butanol, ethylchloroacetate at temperatures (۲۹۸.۱۵, ۳۰۸.۱۵, ۳۱۸.۱۵) K

• Investigation of volumetric properties of binary mixtures of benzylamine with ۲-propanol, ۱-butanol and ۲-butanol at different temperatures

• Salt Effect on the Liquid-Liquid Equilibrium of (Water + Phosphoric acid + Dichloromethane or ۱, ۲-Dicholoroethane) Systems at T=۲۹۸.۱۵ K

• Measurements and Modelling of Quaternary (Liquid + Liquid) Equilibria for Mixtures of (Water + Phosphoric acid + Dichloromethane + ۱, ۲-Dicholoroethane)

• Modification of TM EOS and application to PPO-PS blend using glass transition data

• Volumetric properties of PEG-PPG blend by equation of state using surface tension

• Aggregation Behavior Modulation of Ionic Liquid ۱-Dodecyl-۳-methylimidazolium Bromide by Sodium Salts in Aqueous Solutions

• Salt Effect on the Aggregation and Thermodynamic Properties of Ionic Liquid ۱-Dodecyl-۳-methylimidazolium Bromide in Aqueous Solutions

• Equation of State for Alkaline Earth Metals: Prediction from Surface Tension

• Equation of State and Volumetric Properties of Compressed Liquid Based on Surface Tension

• Volumetric and Acoustic Studies of the Ionic Liquid ۱-Butyl-۳-Methylimidazolium Hydrogen Sulfate in Polyethylene Glycol Aqueous Solutions

• The effect of polymer molar mass for the aqueous two-phase systems Containing Polyethylen glycol and Di-sodium hydrogen citrate

• Phase Diagrams of Some Aliphatic Alcohols + Di-Sodium hydrogen Citrate + Water at T = ۲۹۸.۱۵ K.

• Estimination of Ternary System (Water + Acetic acid + Cyclohexanol) under Ultrasonic Wave using GMDH-type Neural Network

• Measurement of Densities, Speed of sounds, and Water Activities for ternary system PEG۴۰۰۰+KNa(Tartrate)+H۲O at different temperatures

• Vapor–Liquid Equilibria, Density and Speed of Sound of Aqueous potassium sodium tartrate Solutions at different temperatures

• Prediction of Quarternary System (Water + Acetic acid + Cyclohexane + Cyclohexanone) using GMDH-type Neural Network

• Application of PHSC Equation of State to PEG and PPG Polymers

• Binding of alkali metal cations by calix[۴]arene-crown-۶ in methanol a thermodynamic study

• Conductometric study of the new reactive dye with cetylpridinium chloride surfactant

• Investigating the behavior of the Imidazolium based ionic liquids using the Yukawa potential model

• Effect of pH on the phase separation in aqueous solutions containing poly (propylene glycol) and the kosmotropic salt sodium citrate at T = ۲۹۸.۱۵ K

• Dielectric Behavior and Thermodynamic Investigation of Some TernarySystems at Different Temperatures

• Investigation of some physical properties of ۱,۲-Ethanediol+۱,۳-Propanediol binary mixtures

• Density, Viscosity, Excess molar volume of Ethanol Amine with ۱,۳-Propanediol at Temperature of ۲۹۸.۱۵, ۳۰۳.۱۵, and ۳۰۸.۱۵ K

• Density and apparent molar volume of ionic liquids ([PnMIm]Br) and [HMIm]Br) in the aqueous D-glucose solutions at different temperatures

• Densities and Excess molar volumes for Binary Solutions of Water + Methanol and + Ethanol from (۲۸۳.۱۵ to ۳۱۳.۱۵) K

• Densities and Excess molar volumes for Binary Solution of Water + Propanol from (۲۸۳.۱۵ to ۳۱۳.۱۵) K

• Thermodynamic study of interactions between Dimethyl Carbonate and a homologous series of ۲- Alkanols

• Study of ionic liquid solvation interactions and thermodynamic properties using gas–liquid chromatography

• Solute-Solvent Interaction Effects on Protonation constants of Nicotinic Acid in Different Water-Methanol Mixtures

• Solvent Effects on Protonation Constants of benzohydroxamic acid in Different Aqueous Solutions of ۱- etanol

• Ionic Strength Dependence of Protonation Constants of Nicotinic Acid

• Viscosity Prediction for Binary Mixtures by Using Different Models

• n-octanol/water partition coefficient and solubility measurements of propranolol and atenolol at different temperatures

• Investigation of some physical properties of Ethanol with diethylenetriamine (DETA) binary mixtures at T = (۲۹۸.۱۵, ۳۰۳.۱۵, and ۳۰۸.۱۵) K

• Solvent Effects on Protonation Constants of caffeic acid in Different Aqueous Solutions of ۱- Metanol

• Convexity and Thermodynamic Stability

• Solvent effects on protonation constants of picolinic acid in different aqueous solutions of ethanol

• Physical and electrochemical properties of metallic ionic liquids [ Bu۳N Bn] [MClm] (MClm = AlCl۴, FeCl۴, ZnCl۳, SnCl۵, CuCl۳)

• Thermophysical properties of acidic ionic liquids based on tributylamine at various temperatures

• Calculation of spinodal density in subcritical region for liquid argon

• Densities, speed of sound and isentropic compressibilities of three binary mixtures Benzyl alcohol with tert-butanol, ۱,۲-butandiol and ۲-methyl-۱-butanol

• Thermodynamic denaturation of Į-Lactalbumin presence of cetylpyridinium chloride and hexadecyl trimethyl ammonium bromide

• Thermodynamic characterization of the betaine and sarcosin effect on Protein stability

• Phase Equilibrium of Water + Formic Acid + ۱-Heptanol ternary Liquid Systems at T=۲۹۸.۱۵ K.

• (Liquid + liquid) equilibria in ternary aqueous mixture of Formic acid with ۱-Hexanol at T = ۲۹۸.۲ K.

• Liquid phase equilibria of (Water + Formic acid + ۱-Octanol) ternary systems at T= ۲۹۸.۲K and atmospheric pressure.

• The Free Expansion of Har d Sphere Confined Fluid Using DDFT

• On the C alculation of Surf ace Thickness of Electrolyte Solution s Using Inversion Method

• App lication o f the GM A equation of stat e to predict the metal-non metal transitio n

• Gaseous ion mobility of CO+ ions in He and Ne

• Study o f Structu ral Behavior of H exylamin e at the Interface of Water/Oi l by Mol ecular Dy namics Simulatio n

• Man y-body and quantum effect s in some thermod ynamic properties and infinite shear modulus of the HFD-like an d Lenna rd-Jones fluids using the radial di stribution function

• Hydro gen bondi ng in na noconfined water

• Size effect on z igzag spin couplin g interaction in pr esence o f magnetic field for ۱-D Ising model o f Nanosys tem

• E quations of State for Density Predictions Based on Me lting Point Const ants

• Calculation of internal energy o f Argon fluid with hard-core square-well potentia l at diffe rent ther modynam ic states

• Prediction of compressibility fac tor of Argon fluid with hard-core sq uare-w ell potential at different thermodynamic states

• Isothe rmal com pressibil ity predic tion for pure compounds

• Comparison of bulk modulus as Benzene dense fluid using the perturbation theory and comparison with Peng-Robinson equation of state

• Conforma tional di stribution of ternary complex of Sm +۳ with ۵, ۷-dichloroquinoline-۸-ol and ۴ -vinyl pyr idine [S m (VP)۲ ( DCQ)۳]+۳: A computational stat istical m echanical approach

• Eval uation of thermod ynamic properties of polyethylene co polymer melts using GM A equation of state

• Predi ction of t he parameters of the averag e effective pair potential in liquid alkali metals using a new equation of state

• C alculation of the c ritical po int for th e Ising m odel ove r two-lay er tria ngular la ttice usin g Cellula r autom ata appro ach

• The critical p oint of t he two-la yer ۳-state Potts m odel over squa re lattice (cellular automata approach)

• Gen eralized modified SAFT-B ACK mo del for lo ng chain hydrocarbons

• Stud y of Surf ace tension, Density and V iscosity o f Hexanoic acid by MD Simulat ion and E xperime ntal Meas urement

• M olecular distribution in a binary solution wit h differen t radii o n a na noscale size

• Study o f the Properties o f Pure Oil and Oil/Water I nterface by Molecular Dynamic Simulation

• A symmetric critical behaviou r of binary mixtu res

• Evaluatio n of Virial Coeffic ients at Wide Ran ge of Te mperature

• A M onte Carlo simulation of the adsorpt ion of CO ۲ and SO ۲ gases in pure and functionalized si ngle walled carbon nanotubes

• Adsorption and corrosion inhibition of spearmi nt (Menth a spicata L.) leaves extract on mild steel

• E lectrochemical determinati on of acetaminophen in the presence of ascor bic acid and propranolol using meta lic Cu na noparticles- Schiff base modified ca rbon pas te electro de

• Using the Peukert's equation for predicting the dischar ging time of primary silver/zinc battery a t any dis charge ra te

• A Th ermodyn amic Study on the Binding of Huma n Serum Albumin with Beta Cyclodextrin

• Application of Multiw all Carbon Nanotu bes and Rutin as a Mediat or for Glutathione A nalysis

• Capacitive Tran sducer f or Pitting Corrosio n Monit oring of Carbon St eel

• Thermodynamic i nvestigation of aci d green ۲ ۵ and cationic alky l ammoniu m bromid surfactants with different alkyl chain lengt h

• The Study of Thermodyna mic Cons ant ΔGr , ΔSr and ΔHr ortho – Qui none and Azid ion by Cycli c Voltam metry me thod

• N ano SBA۱ ۵ mesop orous: A porous m aterial fo r electrooxidation of metanol

• Effe ct of org anic additives in el ectroless Ni-P and Ni-P-Al۲ O۳ composite coatings

• Inhi bitive and adsorption beha viour of some N an d O dono r Schiff Bases on mild steel corrosio n in hydr ochloric acid solution

• Syn thesis, electroche mical and theoretical studies of New Hydrazonics Schiff Bases as corrosion inhibitors

• Sonoelectropolymerization of Po lypyrrole-SiC nan ocompos ite coatin gs on mil d steel and corrosion protec tion

• Stud y the effe ct of car bon active as an ad ditve to the cataly st layer o f gas diffusion electr ode on th e ORR k inetic.

• Ca racteriza tion of Nickel/Nan o-Porou s Carbon (Ni-NPC) Composite Structures as a new Material for Supercapacitor s by Elelctrochemical Impedanc e Spectro scopy in Aqueous and non aqueous Electroly te

• Stud y of the c apacitance behav ior of Ni and Ni-Cg electrod es in aqu eous and non-aque ous electrolytes b y electrochemical impedance spectroscopy

• Fabrication of a Potentiometric Magnesium Ion Selective Electrode Based on Nan o Conducting Polypyrrole Doped With Titan Yellow

• Activity coefficients measureme nt of KCl +KNO۳ +Water +Proline system b y Pitzer model at T=۳۰۳.۲ K

• Kinetic study of the oxidation of epinephrine by digital sim ulation of cyclic vol tammograms

• Kin etic study of the oxidation of dopam ine in th e presence of arom atic amines

• Conductiv e Polyme ric meso-t etra(p-ca rboxyphenyl)Por phyrin Film electrode for Trace Deter mination of Nickel

• Kinetic study of electroch emical generation of diphenylamin e derivatives of catechol

• Applica tion of Ozone-electrolysis method for treatm ent of Reactive Orange ۷ in aque ous med ia by usin g Ti/Sb- SnO۲ anode

• Thermodynamic st udy of th e ternary (EMIm Cl+HCO NH۲+H۲O ) ele ctrolyte system ba sed on p otentiome tric meth od

• Thermodynamic study o f ternary [NaCl+Na۲HPO۴ +H۲O] electrolyte s ystem

• Potentiometric inv estigation of pyridine-۲,۶-dicarboxylic acid an d chelidamic acid - ۲,۹-Dimethyl- ۱,۱۰-Phen anthroli ne compl exes with some m etal ions and comparing w ith solid state results

• Ni۲+ and UO ۲۲+ ions ,Potentiometric stud y of complexation between Zn۲+ with chel-a acr proton transfe r and com paring w ith solid state res ults

• Tetra zole derivatives a s effective inhibitors for the corrosion of steel in ۰.۵ M H ۲SO۴ solution

• Electrochemical investingation o f (۴-bromo-۳-(۲,۴dimethyl p henyl)iso xazol-۵-yl)methanol on the corrosion of Steel in ۱M H Cl.

• Eff ect of hardness and softness of metals on the c orrosion inhibitor y of porphyrin compound

• Electrochem ical beha viour of methylene blue dye on the g lassy carbon electro de (GC) in differe nt concentrations

• Poly(۱-amino-۹,۱۰-anthra quinone) coating on stainless steel by electr opolymerization

• Electroless nickel plating on A Z۶۱ magnesium alloy

• Effect of tw o various tempera tures on the electr oless nick el platin g on AZ۶۱ magnesium alloy

• Ele ctrochem ical synthesis of nanocomp osite of poly anilin e / polyvinyl a lcohol and study its corrosi on

• Electropoly merization poly D DS / SiO۲ nanopar ticle and its corrosion

• Ele ctrocatal ytic determination of penicillamine u sing multiwall car bon nanotub es paste electrode

• Thi rd genera tion glucose biosensor using covalen tly immobilized glucose oxidase onto poly(Aminothiophenol)/ carbon nanotube s electro de

• Electrocatalytic Oxidation of Dopamine, Ascorbic Acid and Uric Ac id at P oly-۴-Am inothiophenol on the Surfa ce of Ca rbon Nanotubes/GC Electrodes

• Poten tiometric investig ation of glycine-۲- aminopyr imidine proton-transfer system and its Cu۲+complexes

• Spec trophoto metric stu dy of the complexation of two new synthetic Schiff ba se with some transition and heavy m etal ions in aceton itril solvent

• V oltammetric deter mination of cystea mine using multi wall carb on nanotubes pas te electro de in the presence of ۳,۴-dihydroxy cinnaminc acid as a homogeneous mediato r

• H igh selective and sensitive voltamm etric sensor base on modifie d multi wall carbon nanot ubes paste electrod e and ۳,۴ -Dihydr oxycinamic acidfor determin ation of ascorbic acid

• Potentiomet ric study of comp lexation b etween C o۲+ and pydc/۲-ap ym proton transfer and comprising with solid state re sults

• Potentiom etric studies of four new mixed inorg anic-org anic hybr id mate rials-based preyssler and wells-dawson hetero polyoxo metallates someamino aci ds

• Co-ad sorption effect of oleic imm idazolin e and thio urea on the corrosion of carbo n steel in CO۲-sat urated solution

• Fabr ication of nickel and Pt-Ni particle/c arbon pa per electrocatalysts for el ectrooxi dation of methanol in alkaline medium

• Th e inhibit ion effect of a new Schiff ba se on mild steel in ۲ M HCl . A complete study : Adsorp tion, temperature, duratio n and qua ntum ch emical aspects

• Electrochemical study on the effect of a double Sc hiff base and its cobalt complex on the acid corrosion of ca rbon steel

• Fe(II I) ion selective electrode ba sed on a new mac rocyclic ionophore as a ne utral car rier

• Inve stigation of inhibition effect of ۳-(۲-C hloroph enyl)-۴-(۴ -nitroph enyl)-۱H-۱,۲,۴-triazole-۵(۴H) -thione against copper corr osion in ZnO nanofluid

• Electrochemical oz one generation on the Ti/Sn-Sb-Ni as anode a nd improve ment of electrocatalytic pro perties vi a carbon nano tube

• Ele ctrochemical Noise Analysi s of Pittin g Corrosion of Al uminum ۷۰۷۵

• Ele ctrochemical remo val of am monium using ca rbon nanotube-car bon black-PTFE-coated cathode

• Evaluation of mild carbon steel corrosion in coolin g systems in the presence of Fe۲O۳ Nanofluid and Comparison with the corr osion caused by different concentrations of eth ylene gly col

• De gradation rate va riance quantity fr m the an ode to the cathode in polymer electrolyte layer in PEM fuel cells

• The effect of P VP (Poly vinylpyrrolidone) on the electroche mical synthesis of Sn nanoparticl es for lit hium ion batteries

• Study o f complex ation pro cess betw een ۱۵-crown-۵ w ith Mg۲+ cation in binary mixed non-aqueous solvents using conducto metric m ethod

• A ne w cluster model based descr iptor for quantitative structure-inhibition relationship: S tudy of imidazole and its derivative s on copper corrosion in N aCl media

• C luster model based descriptor for quantitativ e structur e-corrosion inhibiti on study of benzen ethiol and its derivatives o n copper

• Er۳+-PVC Membra ne Sensor Based o n ۳-hydroxy-N'-((pyridin-۲ - yl)methy lene)naphthalene -۲-carboh ydrazide

• Determinati on of ۴-hydroxybe nzoic acid with cy clic voltammetry and differential pulse method using the el ectrode m odified w ith carb on nanotubes

• Study of complexation o f cesium( I) and cerium(III) metal ca tions with ۱,۱۳-bis(۸-quinolyl)-۱,۴,۷,۱۰,۱۳-penta oxatridecane in bi nary mix ed non-aq ueous solvents

• Solvent infl uence upo n compl exation of kryptofix۵ with C e۳+ cation in bin ary mixed non-aqu eous solv ents

• Electrochemical study of Catal ase Modi fied Electrode in t he Presence of Compatible and Non-Compati ble Osm olytes usi ng Carbon Nanotu bes

• Stu dy of Poi nt of zero charge effect on oxygen re duction reaction at gas diffusionelectrode in PEMF Cs

• Pr eparation of carbon paste electrode modified with m-t uloidine in prese nce surfactant containing Platinum nano part icles and its appli cation for electrocatalytic reduction of oxygen

• Modific ation of electrode surface w ith sulfonated polyaniline

• modificatio n of electrode surface with sulphon ated poly aniline and Electrosyn thesis of polyaniline

• Electr ooxidati on of etha nol using synthesized zeoli te modifi ed carbon paste electrode

• Investigation of electro chemical properties of hetr odimeric nanoparticles (F e۳O۴-Ag, Fe۲O۳-Ag and Fe OOH-Ag ) for determinatio n of gluco se

• The use of chemically modified carbon p aste elect rode by deferiprone to dete rmine trace amou nt of copper in wa ter resou rces

• Copper determ ination in drinkin g water by differe ntial pul se voltammetry at a modified carbon paste electrode with magnetic nanoparticles al mond shell

• Nanostruct ure Cons truction of Au-M PA-Zr(IV )-[DTPA-Fe(III)] Based on E x-Situ Me thod Ch aracteriz ed by CV, DPV and EIS

• Application of novel voltammetric nano-sensor bas ed on ca rbon nan otubes paste electrode det erminatio n of hydr oxylami ne

• Influe nce of sodium dod ecyl sulf ate micelles on the Palladium Nanoparticle fo rmation on GNS f or oxygen reduction reacti on

• The e ffects of electrodep osition m ethods on the pseudocapac itive properties of nanostructu red Manganese d ioxide

• Preparation of modified electro des using multiwall carbon nanotube s and isop renaline mediator for cyste amine an alysis by voltamm etric me thod

• Performanc e Prediction of Palladium N anoparticles on Anode of Solid Oxide Fuel ells

• Ap plication of Au Nano Particles Modified Carbon Paste Electrod e for Simultaneous Determin ation of Tryptoph an, Uric Acid and Ascorbic Acid

• Differential p ulse voltammetry and cycli c voltam metry detection of furan on platinum El ectrode in aprotic solvent

• Screen Printed Ca rbon Electrode M odified by Ionic Liquid/ Ag Nanoparticle s for Dete rmination of Met ronidazole in Biolo gical Sa mples

• Pre paration and Inve stigation of Hydrogen Stora ge Properties of Pd-Ni Nano-alloys for F uel Cells

• Simultaneous determination of norepinephri ne and acetaminop hen using modified room temperatur e ionic liquid/multiwall car bon nan otubespaste electrode

• Tet razolic de rivatives as effect ive inhibitors for the corrosion of steel in ۰.۵ M H۲SO۴ solution

• Voltammetri c determination of L-cystei ne using modified electrode with multi-wall carbo n nanotu bes and ۳,۴-dihydroxycinnamic acid

• A Comprehensive Study on the Mechanism of Diallyl D isulfide (All۲S۲) Thermal Deco mposition in the Gas Phase

• Quantum Study of the Ga s Phase U nimolecular Elimi nation Ki netics of ۵-Substituted Groups of Allyl Sulfides

• Solvent Effects on Proto nation an d Comple xation of Aspartic A cids with Molybden um(VI) i n Different Aqueous Solutions of Methanol

• Phot ocatalytic activity o f Cu-doped ZnS pr epared by ultrasonic method

• Effect of ultra sound on ۳-chlorop henol de gradation, compari son with Fenton's reagent effect

• A Th eoretical Study on the Therm al Unimo lecular Reactions o f cis-۱,۲-Dimethylcyclopro pane and trans-۱,۲- Dimethylc ycloprop ane

• Kin etic study of electr on detachment reaction for C l- by using of ion mobility s pectrometry

• Qu antum Chemical and Theoretical Kinet ics Studie s on the H + CO۲ Re action

• High efficien cy photor eduction o f Nitrobenzene to Aniline over CdS-TiO۲ /based photocatalys ts modifi ed with A mino acid under visible light

• investigation of dye- surfactan t ion pair formation in aqueous solutio n

• A dsorption kinetics of congo r ed on cellulose

• Thermal degradation behavior of Polyvinyl alcohol/Sta rch/Carboxymethy l cellulose biocompo sites

• M echanoc hemical a ctivation o f carboxy methyl cellulose a nd its thermoplastic polyviny l alcohol/starch bio composites with enhanced ph ysicoche mical prop erties

• Intra molecular hydrogen bonding in enol fo rm of ɑ-su bstitution of (Z) -۴, ۶-dioxo-۶-phenylhe x-۲-enoic acid [ZDP EA]

• Kinetic study of Pb۲+ a dsorption on the polypyrole/ HMS nano composite

• Kineti c study of DPPH sc avenging i n the pre sence of Taxol as an anti can cer , Asc orbic Acid as an antioxidant and mixtu re of the m

• Kin etic and Thermody namic stu dy of Mol ecule ۶-A mino-۳-H ydroxy-۳, ۴-Dimet hyl-۱-Phe nyl-۲,۳- D ihydropyrano[۳,۴-C]Pyrrole-۷-Carbonitri le in the gas phase

• Kinetic study ofreaction of -nitro-۱H -benzo[d]imidazol e to produ ce۶-nitro-۱H-benzo[d]imidazole

• Ultrasonic degradation of ۲-hydrox yethylcel lulose: Eff ect of molecular mass, concentration, volume an d power in put

• Thermod ynamic an d kinetic study of a dsorption Direct red ۸۱ o n Chamo millaMatricaria

• Acid hydrolysis of ion-complex Azidopentaamine Cobalt (III) in differe nt concentratio ns of Sulf uric acid

• A ki netic stud y on melti ngof diphenylamine by therm ogravimetric analysis

• Effect of poly-HE MA hydrophilic gel matrix on photo-ph ysical behavi or of Thionine

• Solvent effects on the absorption spectra of Co(II)- tetrasul fonated phth alocyanin e

• Thermodynamic and kine tic investi gation of Cationic dye removal from textile waste wa ter via C MK-۳

• Thermodynamic and Kinetics inves tigation of adsorpti on of anionic surfactant sodium d odecyl sulfate using spent tea leaves

• The role of Form ation Chemically Activated Intermediates on th e Mechan ism and Kinetics of the Reaction of M ethoxy Radical with Hydroxyl Radical

• Interp lay between inter and intra molecular addition of n-methylaniline a nd side-chai n amine g roup of ne urotrans mitters

• Investigation of t he Antibacterial activity of Cu, Ag, and Au-modifiednanocomp osites con tain a ma gnetic cor e-polymer ic shell

• Kinetic study of reactive oxygen sp ecies pro duction u pon photoexcitation of sun care agents suc h as TiO۲, ZnO an d ZrO۲

• Kine tic Study of Reactive Oxygen Species by Using ۲, ۷-dichlorofluoresce in Diacetate Assa y

• Ab initio compu tations o n zigzag (۱ ۰,۰) carbon nanotu be-phosphoryl halides

• Grafted zigzag (۱۰,۰) carbo n nanotu be with ph osphora mides

• P hotodegradation of Acid Ora nge ۷ over AgBr/TiO۲ Nanoc omposite u nder UV Light Illu mination

• A Theoretical Study on the S olvent Eff ects in per icyclic Re actions Part I: ۳,۴-Di methyl-۲, ۵-dihydrothiophen-۱,۱-dioxid e

• Molecular Photochromic Sys tem: Experimental Investigation of Nickel(ll)Dithizonate in D ifferent S olvent by Diode Laser

• Laser Induced Tunable Photochro mism of Dithizone v ia Metal Coordinat ion

• Kinetic of Son ocatalytic degradati on of Met hylene blue

• Kinetic stu dy of degradation of methyl ene blue by Fenton process

• K inetically dimeriza tion of Į- methylstyr en by H۶ P۲W۱۸O۶۲ catalyst: Te mperatur e and time aspects

• Macr oscopic an d Micros copic Prot onation C onstants of Alanin e in Aque ous solutions of ۱-pro panol

• Mec hanism of Stable Phosphonate Ester Derived from ۲-fluro Anilin: a Kinetic Study

• Solvent po larity, hydrogen-b onding and solvophobicity eff ects on the nucleophilic substituti on of benzenesulfonyl chloride with ani line in aqueous and non-aqueous solutions of methanol

• Linear and Non-linear Free Energy R elationships in Nu cleophilic Substituti on Reactio n of ۲-Bromo-۵-Nitrothioph ene with Morpholin e

• Kinetic investigation of ph otocatalytic decolorization of a metach romatic dye usin g nano-structure zinc oxide at buffer solution

• DFT Study of kinetics and thermodyna mics of proton tra nsfer and proton-bo und dimer formation of methyl isobutyl ketone and ۲,۴- dimethyl p yridine

• Electrochemical and morphological study on green nano-ceramic reinforce d convers ion coatin g

• Theor etical Investigation of the Th ermal Unimolecular Decomp osition of Ethy lacetate

• The st udy of pho to degrad ation kinetics of P VC-TiO۲ n ano-com posites and determination of their hydroph obicity under artific ial UV radiation

• Equilibrium isotherms a nd kinetic for adsor ption of methylene blue from aqueo us solutio n on activated carb on prepared from w ood of kh injuk tre e

• (Liquid + liquid) eq uilibria for phosph oric acid with dich lorometha ne and water using GMDH-t ype neural network

• The photodegradation o f ۴-nitrop henol at presence o f Fe۲O۳ and Fe۲S۳ nanoparticles as photocatalyst

• Humidity and scaning rate effects on the glass t ransition ( Tg) of ABS (acrylonitr ili butadiene styrene)

• Soli d-state kin etics calculation of a new sy nthesized oxovanadium(IV) com plex using differential scanning calorimetry

• Photodegradation of methylene bl ue using -doped nano structures prepared by microw ave irradiation method

• Preparation and c haracteriz ation of S b-doped ZnO nanostructures by a simple and green r efluxing m ethod

• Visible li ght degra dation of methylene blue using Sb-dop ed ZnO n anostructu res prepared under m icrowave irradiati on

• Study of structural and magnetic prop erties of nanoparticles manganese ferr ite synthesized b y laser ab lation

• Studies of Kinetic and Thermo dynamic of competitive adsorption Of Cu+۲ and Zn+۲ on modified multi-walled carbon nanotubes

• Prepar ation and properti es of nanorotaxane from a-C yclodextrin and Poly (ethylene glycol) with Poly ( vinyl alco hol)

• Novel microfibers of rotaxan es from the Inclusion Complex Reactions of a, β, ƴ-Cycl odextrins with copolymer of poly(thiou rethane)

• Microwave-assiste d method for preparation of Sn-doped ZnS nano structures in water and their photocatalytic activity

• Investig ation of K inetic isotope effects on reaction of me thane with radical of thrifluo romethane

• Study on the ad sorption of caffeine on magne tic nanoparticle coupled wit h carbon prepared from almond nutshell

• Thermodynamic investigation of the removal of titan yellow dye fr om aqueo us solution

• Rheology and morp hology of Polyami de/Polyeth ylene ble nds filled with different clays

• Kinetic of De composition of Hydrogen Peroxide Ove r MnO۲ a nd MnO۲ Suported on -Al۲O۳

• Complete Gas-Phase Proton Microaffinity Analysis of Hematoxylin. A DFT Study

• Studi es on the Adsorptio n Kinetics for the Removal of Methyl Orange using Modi fied Sawdust

• Rem oval of bromo phen ol blue from aqueous solution on activated carbon prepared from w ood of astragalus b isulcatus tree: kinetics and is otherm st udy

• Solvent p arameters effect on the rate constant of the solvolysis of ۲-chlor o, ۲-meth yl propan e in aqueous soluti on of alcohols

• Modifi cation of sawdust a nd using for remova l of Pb : kinetic an d real sam ples studies

• The effect of ligand subs titutions on catalytic activity of Heme – Imidazo le deriv atives – SDS complex as a nano artificial enzymes

• Ther mokinetic s Modeling of Claus Furnace Unit in th e Presenc e of NH۳ for D etermining the Opti mum Op erating C onditions

• Remov ing Crystallization Water of Holmium Nitrate: Drying vs. Degradation

• Kine tics, Isoth erm and Thermod ynamic Studies of A dsorption of Blue ۵ ۶ From Aqueous Solution onto Sea shell Powder

• Kine tics, Isoth erm and Thermod ynamic Studies of A dsorption of Blue ۵ ۶ From A queous Solution ont o Barley straw

• Efficient rem oval of phenol using sonicate d MCM-۴۱

• Preparatio n and cha racterization of Fe۳O۴/ZnO core/shell magnetic nanoparticle s

• Effect of pH and ionic stre ngth on p hosphorus remova l from aqu eous solution by TiO۲ nan oparticale modified

• Ads orption properties o f CO on (۴,۰), (۶,۰), and (۸,۰) zigzag si ngle-walle d carbon na notubes: a density functional study

• The photocatalytic degradation of methylen e blue on the surface of sol-g el p repared n anostructured ZnT iO۳ and Zn۲TiO۴

• sunflower seed hull adsorbent for removal of reactive red ۱۹۸: kinetics a nd isot herm study

• MP۲ c ompariso n of the effect of Flu orine and Amine groups on kinetics th e of carbocation formation

• Kineti c study of the cataly tic methane dry re forming t o synthesis gas over Fe-V۲O۵/Z rO۲ Catalyst

• Li near corre lation between ther mal conductivity e nhancement and flu id adsorption in water nan ofluids at different temperatures

• Growth and character ization ofnanocrys tallineCdS e thin fil ms depositedBy c hemical b ath depo sition method

• Gro wth techn ology, X-ray and op tical prop erties of NanocrystallineCdS :Cu prepared by Chem ical Bath Depositio n Method

• Adsorption k inetics models for Cd(II) re moval by Thiol-Nanosphere i n a single compone nt system: Error analysis

• On the Bin ding of Mercaptop urine to Cucurbit[۷]uril Ho st: DensityFunctio nal Investigations

• Adsorption behavior of ۶-Mercaptopur ine drug on the C۶۰ fullerene nanocage: a first-principles stu dy

• Photocatalytic degrad ation of n onionic s urfactant from wast ewater us ing Zinc ox ide nanoparticles

• Syn thesis an d investig ation the catalytic behavior o f Cr۲O۳ n anoparticles

• Experiment al evaluat ion of silic a nanoco ntainers and smart coatings for active corrosion p rotection of alumin um alloy

• Ben zotriazole Contained in the H olloysite Nanotube s Using Di fferent M etal Ions as Stoppers

• Molecular Dynamics Simulation of th e Melting Behavior of Cs-Na Bimeta llic Nanop articles

• Stud y of physical chemi stry properties of p olystyrene and car bon nanotube as phase change m aterials u sing mole cular dyn amics sim ulation

• Ul trasonic-assisted m ethod for preparation nanop articles of Cu-dope d Zn S in water

• The study effects of Ga and As-doping in Armchai r and Zig zag forms of boron ph osphide n anotubes

• Preparation, Characterization and Contr ollable Sy nthesis o f Nano Zero Valent Iron Par ticles

• Stabilization study of P hotodegra dation of acrylonitrile–butadiene–sty rene (ABS )/TiO۲ po lymeric nanocomp osite

• A th ermodynamic study and characterizations on F e۳O۴ nanoparticles and coated with human and bovi ne serum albumins

• Measurem ent and Modeling of Volum etric Properties of Nanofluid Containing Fe۳O۴ Nanoparticle, Poly( ethylene glycol) and Water

• Inve stigation on Rheolo gical Properties of Nanofluid of ZnO Nanoparticles Di spersed in Poly(eth ylene glyc ol)

• I nvestigati on of adsorption CO and O۲ gasses on i nside and outside of single-wall carbon ۲۳۴۴ano tube surfa ce Using DFT Calculations

• A fa cile appr oach for t he synthes is of MnF e۲O۴ nan oflakes with low po wer ultras onic irradiation

• The Effect of Polymer Conformations on the Heat Flow in Nanoconfined Polymers

• Thermal P roperties and Kinetic Analy ses of Novel Highly Energetic Re active M aterials-Nano versus Micron Composites

• Separation of CO۲, N۲ and CH۴ in Gases M ixtures by Single-w alled Silicon Carbide Nano tubes: a GCMC Study

• O ptical and Structu ral Prope rties of Zn S Quantu m Dots Fabricated by Sonochemical Method

• The e lectrical p roperties of GDE/ DGA/nan o-Al۲O۳ system

• The nan o-Al۲O۳ e ffect on glass transition temp erature of a new na nocomposite based on glycerol diglyci dyle ether: An EIS and DMTA study

• Mole cular dyn amics sim ulation of the melt ing proces s in Ag۲۷ Cu۱۳ core-shell nanoalloy

• In vestigatio n on elect rochemica l behavior of poly (o-amino p henol/na no SiO۲) fil ms synth esized by cyclic voltametry

• Synthesis a nd Chara cterization of Polyv inyl Acetate/Mont morillonite Na nocomposite

• Ads orption of Ethane on Pristin e and Ni-d oped Sin gle Walle d Aluminium Nitride Nanotube

• Th eoretical approach in the stu dy of the adsorption process e of Carb on monoxi de on Alu minium N itride nanotube

• Synthesis and investi gation the catalytic b ehavior of ZnO nan oparticle

• Correlatio n betwee n the theoretical ch emical co ncept of electrophilicity index for fu llerene de rivatives as accept ors and op en-circuit voltage inpolymer-f ullerene s olar cells

• Ost eoinductio n of Mesenchymal Stem Cell in nano bioactive glass scaf fold implante d over rat Calvaria

• Bioc ompatibility and Antibacter ial Activity of Nanosilver enhanced PLGA Cond uits for P eripheral Nerve Re pair

• Pre paration and char acterisatio n of nicke l nanopa rticles grow on bee wax

• Voltammetric Determination of Phenol Based on Ni-Cr-Al LDH Film Modified Glassy Carbon Electrode

• Electrochemical detec tion of Gl ucose on a Ni/Cr L DH mod ified elect rode

• SnSNa nocrystalline Thin F ilms:Com positiona l, Structuraland Opti calproper ties

• Study of Elect rochemica l Properties and Fr ee Energ ies of Electron Tran sfer a nd Reduc tion Potential for f ullerenes of C۲۰–C۳۶

• Coarse-grained computer simulati on of nano confined water

• Com plexation of C۶۰ derivative as a carbo nic anhyd rase nan oscale enzyme inhibitor

• Synthesis and charac terization of nano powders of Li(۱-y) Co(۰/۳) Ni(۰/۴-x)M n(۰/۳)Zn(x)M g(y)O۲ cathode materials via sol-gel and Freeze drying methods

• Synthesis of n ano SBA- ۱۶ using extracted s ilica source of stem cane ash and its application for electr ocatalyti c oxidatio n of meth anol

• Design an d Measure ment of novel Nanotube(۶,۶) and Cali x[n]arene derivatives Therm odynamic Functio n as drug delivery by DFT

• Prepa ration and Investig ation of N anostructured Zir conia

• Synthesis of mesoporou s SBA-۱۵ nanopar ticles using stem sweep ash silica for adsorptio n kinetics of the cationic dye, Azure B, from aqueous solut ion

• Phosphatide adsorption from the neutraliz ed soybean oil by bleaching earth modifie d whit nanoclay

• Effect of t he Au Catalyst on G rowth of Carbon N anostructures with Methanol via H FCVD

• Ph otocatalytic degrad ation of co ngored under UV and Visible light using Mo and S codoped TiO۲ nanoparticles

• Sy nthesis a nd characterization of polyaniline/HM S nanoco mposite an d study of its activiy for sorption of Ni۲+ fro m wastew ater

• Stu dy of photocatalytic activity o f CoO nanoparticl es in phot odegradation of ۲- nitrophenol

• Density Fu nctional T heory Stu dy of Sulfur Dioxid e Adsorption on the Internal and External of the Single-Wall Carbon Nanotubes

• Synthesis a nd chara cterizatio n of CdS quantum d ots cappe d with the different amino acids and thioglicolic ac id (TGA).

• Preparation, cracteractise a nd compare thin film of nano particle Lanthanum yttrate with tem perature v ariations

• A compar ative study on structure and microstructure of zinc ferrite nanopo wders prepared using different fuels

• Investigation Effect of pH Va riation in preparation and c ontrolling of Zn spinel fer rite nanocrystallite s size

• Treatment of carbon nanotubes by KOH fo r removal of fluoride from w aste water

• Co۳S۴ Nanocrystals: Hydroth ermal Syn thesis, Ch aracterization, and Formation Mech anism

• In vestigatio n of the interaction of carbon dioxide fl uid with internal a nd external single-wall carbon nanotubes by DFT

• Sy nthesis of Ni-Al-Feternary layered double hyd roxides Prepared By Coprecipitation Method

• Sy nthesis of Ni-Al la yered do uble hydr oxide as a nano-sor bent and its applic ation for extractio n of Para amino benzoic acid from pharmaceutica l and healthy prod ucts

• Im provement of photocatalytic activity an d stabilit y by immo bilization of TiO۲ o n the hexagonal me soporous silicate

• P hysical Chemistry Study of L nEmLn Block Copolymeric M icelles fo r Protein Delivery

• Stu dy of ther mal decom position kinetics o f multi-wa lled carb on nanotu bes fun ctionalize d by acidic groups using the rmogravi metric ana lysis (TGA)

• Preconcentr ation and speciation of chro mium spe cies in env ironmental water an d food samples usi ng a novel magnetic activated carbonnan ocomposite couple d with FAAS

• Excitation of particl e plasmons in metal nanoallo y

• Synthesis of ZnO nanoparticle and inv estigation of its influence on p hotodegradation of Rhodami ne B pigments in thin polyeth ylene film s

• Inve stigation the density of states in presen ce of a magnetic field parallel to the nanotube axis

• Medium cont ains metal nanopart icles as m eta-mater ials

• Syn thesis an d Application of po lyaniline/ Multi walled Carbon nanotu be nanocomposite f or electro chemical determination of fol ic acid

• Excited state of impurity binding energy i n symmetrical multiple quantum dots Ga N under electric and magnetic fields.

• Eff ect of time dependent electric field on quantum dot in the presence of impurity and magnetic field

• Th e role of i mpurities on the pr operties o f electron transport through the metal / Diamantane /metal system : Green’s function approach

• Kinetic st udy on photocataly tic degradation of m ethyl orange using microwave- assisted synthesis o f ZnO nanoparticles

• Physicoc hemical Study on a System Consisting Interp olymer com plex and Carbon Nanot ube and Its Applicatio n in Drug Delivery system

• Influ ene of pH on Structural Pro perties of Mn Ferri te Nanopa rticles via Sol - Gel Combustion Method

• Structural and Magnetic Proper ties of MnFe۲O۴ na noparticles Substitu ted by Co۲+

• Tuning Localize d Surface Plasmon Resonan ce of Nano shells for Biolo gical App lications

• The Adomian method for nano-sized mod el including Murrel- Mottram potential and Casim ir force

• Effects of External Electric and Magn etic Fields on the Linear and Non linear Op tical Pro perties in a Quantu m Pseudodot

• Corr osion stu dy of nan ocomposite epoxy / metal in an alkaline environment

• Corrosion r ate of nan ocomposite epoxy / metal in an acid en vironment

• H ydrogen adsorption of Single- Walled Nano-Cone s: a Gra nd Cano nical Monte Carlo Study

• Study of quantum of absorpti on of toxic gases in the air by the open nanocone coup ling with the iron a tom

• Th eoretical study of NO adsorption on the surface of Nanotube doped by Ga

• Syn thesis an d Characterization of Co/Fe/ Sn Nanow ire array s in Alumi na Templates

• Eff ect of annealing tem perature on magne tic properties of [C o۷۰Fe۳۰]۹۷ Sn۳ nanowire arrays

• Removal of Organi c Pollutants from W ater by M ultiwalled Carbon Nanotub e/ Poly(ethylene gl ycol)/ β-C yclodextrin Nanocomposite

• Physicochem ical stud y on a new drug na nocarrier made of chitosan a nd h ydroxypropyl-β-cyclodextrin

• A Study upo n the modern Fabrication M ethod by means of TiO۲/PbO۲ N anofibers via Elect rospinnin g

• Stud ying the e lectrical c onductivity of magnetite nan ofluid using SW model

• Grand Canonical M onte-Carlo Simulation of M onomeric Alkaloids inside VO(bdc) Metal Organic Fram ework

• Improving Benzene Storage Capacity of Al(O H)(bdc) M OF by F unctionalization of ۱,۴-benze nedicarboxylate with Lit hium usi ng GCMC Simulation

• Gelatin/nano-bioactive glass as macroporous nanocomposite nerve con duit

• Rem oval of P b۲+ by Magnetic Iron Oxide N anoparti cles Modi fied with Poly Thioph ene-۳-acetic Acid

• Photo-physical Characteristics of ME-Capped CdSe Nanoprticles Syn thesized by Wet-Chemical Route

• Enhancement of ferro magnetic and dielectric prop erties in barium an d lanthanum dop ed nano powedrs BiFeO۳ by sol-gel synthesis

• Synthesis of multiferroic BiFeO۳ nanopowder by sol-gel process

• Deposition O f Nanocrystalline Z nS:Cu T hin Films by Chemi cal Solution Method

• The effect o f Mn sub stitution o n structural and magnetic pr operties o f strontium he xaferrite n anoparti cles

• De termination of diff usion coefficient of chloride in reinforced concrete containing nano SiO۲

• Th e influenc e of nano SiO۲ on the rate of corrosion of steel embedded in reinf orced concrete

• Non –Pt nanoparticle s as catho de for passive dire ct methanol fuel cells

• Syn thesis and characte rization o f LiFePO۴ nanopar ticles via h ydrothermal method

• Synt hesis and Characte rization of LiFePO۴ Nanoparticles via Hydrothe rmal Method

• Theoretical Studi es of the F ree Energ ies of Electron Transfer in Nanostructure Complexes of Cis- Unsaturated Thiocrown Ethers and A ۱۸-Membered Op en-Cage F ullerene [X-UT-Y][ ۱۸-MOC-C۶۰]

• Interaction of Functional A mino Acid s with Go ld NanoParticles; Theoretical and E xperimen tal Invest igation

• Inter action of Amine Co mpounds with Gold Nanoparticles; T heoretical and Experim ental Investigation

• Effect of doping and defects on t he electro nic struct ure of graphane:A first principle study

• Investigation of Adso rption of p ure Acet aminophen on carbon nanotube

• Investigation of Ad sorption of pure N aproxen on carbon nanotube

• Biogas Adsorption-B ased Sep aration by Metal O rganic Fr ameworks: a Gra nd Cano nical Monte Carlo S tudy

• Hydrogen Physisorption of Cu-BTC and Zn-BT C metal-organic fra meworks: a Molecular Simulation Approach

• Effect of calcination tempera ture on st ructural and morphological properties of cobalt ferrite na nocrystals prepared by co-precipitatio n method

• A compar ative study on the s tructural, morphol ogical and magnetic properties of cob alt ferrite nanoparticles synt hesized by sol-gel autoco mbustion and microwave me thods

• Nano-Hydroxyapatite S upported MoO۲(acac) : Structure Cha racteriza tion and Catalysis for Cyclooctene Epox idation

• St atistical p roperties of Plasm a Enhance d Chemic al Vapor Deposition na noparticles

• Poly terthiop hene Mn( II) is a ne w nano biosensor of bilirubin: A quantum mecha nical approach

• Characteri zation of Cysteine C oated Ma gnetite Nanoparticles as MR I Co ntrast Ag ent

• Preparation of ZnO nanostructure thin f ilm on the glass and study of its ability for adsorption of Cu۲+ f rom aque ous solutio n

• Co pper iodid e nanopa rticles im mobilized onpoly(۴-vinyl pyri dine): a new and green catalyst for click synthesis of ۱,۴-disubstituted-۱,۲,۳-triazoles in water

• Synthesis and Cha racterization of ma gnenic na nohollow spheres

• Degradation of an orga nic dye at acidic, n eutral and basic buffer solutions by photocatalytic process in the presence of titaniu m dioxide nanoparticles

• Bi ological Effects of Surfactants (SDSˬCT AB ˬTriton X-۱۰۰) Used in the Preparation of Na no Fluids

• Study of th e Biocidal Effects of Nanotube Single W all, Nano tube Multi Wall, Fe and Al۲O۳ Nanoparticles by B iosensor

• An Investig ation of g rowth time effect on morphological an d structural properties of SiO۲ na nowires d eposited by thermal evaporation method

• Sy nthesis, Determination of phy sicochemical prope rties and cytotoxic ity study of Mit oxantrone loaded m agnetic nanoparticles

• Im mobilization of cobalt over f unctionalized magnetic nono particles for liquid phase oxidation o f cyclohexene

• DOS Spectr a and NBO Analysis of the N O۲Surface Interactions on th e Cyclic (WO۳)n (n=۲-۶) N ano-Clusters

• Removal o f benzoic acid, p-ni tro phenol and resorcinol fro m aqueous solutions by modifi ed maghemite nano particles

• Nan o Filtration for Wat er Treatm ent

• Structural, magne tic, and f erroelectric properties of BiFeO۳ and BiFe۰.۹۶Co ۰.۰۴O۳multiferroics

• Preparation of Co۳O۴ Nanopa rticles by Thrmolysis of Nove l Complex Containin g Bithiazole Rings

• Synthesis and characte rization o f Cobalt Sulfide Nanostructures via Direct Thermal Decomposition

• Spectroscopic Studies of Silver (A g) Nanocrystalls Using Biolo gical Process

• E nhancement solubility of poo rly water soluble oxcarbazep ine drug b y nanoporous al umina as a nano carrier

• Catalytic Epoxidati on of Cyclooctenew ith Vana dium-oxo- Sulphate Support ed on Am in Functio nalized Nano-Boehmite

• Catalytic Application of Molybdenum Hexa-Car bonyl Sup ported on Functionalized Nano-Boehmite

• Synthesis an d study m agnetic p roperties of NiFe۲ -xGaxO۴ (۰ x ۰.۳) ferrite nanoparticles

• Enhance ment of Active Cor rosion Pro tection of epoxy coating via Com bination of Inhibitor-Loade d Halloysite Nanotu bes

• Thermod ynamic p roperties of carbon chiral na notubes a nd their dep endence o n molecular diameter

• Th e relations hip study of numbe r of carb on and m olecular diameter with quantum des criptors in some cha iral carb on nanotubes

• Ultrasonic – assisted S ynthesis and Char acterizatio n of a New Bulk an d Micro Structure of Mixed – L igand Zi nc (II) Co ordination Polymer

• Prep aration and evaluation of th ermally stable nano–structured self–do ped polythiop hene coating for an alysis of tr ace levels of phthalate esters

• The Synthesis of TiO۲ N anopartic les in order to Ads orption of Hg (II)From Aqu eous Solutions

• Corrosion study of nanocomposite epoxy / poly aniline on copper electrode surface

• Co rrosion s tudy of na nocomposite epoxy / steel polyvinyl alc ohol on t he electrode surface

• Electrochemi cal study of nano composite p oly DDS / SiO۲ nan oparticles on t he surface of coppe r electrode

• Ele ctrochemical study of nanocomposite poly aniline / polyvi nyl alcohol in an acid environment

• Ev aluation of corrosion rate of nanocomp osite epox y / polyvinyl alcoh ol - Poly aniline on t he electro de surface iron

• M ethanol oxidation on the GC electrod e surface modified with nano- pa rticles Fe۲O۳

• El ectrocatalytic oxid ation of L -cysteine at A nano -structured copper(II)– Schiff base c omplex multiwall carbon na notube modified glassy carb on electrode

• Kinetics of Oxidation of Bio-et hanol in wastewater u sing nano CuO/ZnO Catalyst

• Hy drogenic impurity effects on refractiv e index changes and absorpti on coefficients of a cylindrical quantum wire with a convex botto m in magn etic field

• The oretical Study of El ectron Tr ansfer Pro cess Betw een La۲@C۷۲(Adaman tylidene Mono-Ad ducts) and Erythro mycines

• S olid-state ion selective electr ode based on modified nano c onductiv e polymer

• Application of a nan o sized TD -TiO۲ in a sono assisted phot o-catalytic process

• Alignment In dependent ۳D-QSA R Modeli ng of Full erene (C۶۰) Solubility in Different Organic Solvents

• The effect of process fac tors on p article siz e of nanostructured lipid car riers contain ing beta c arotene

• Low temper ature pre paration of TiO۲/Activated ca rbon nanocomposi tes

• S ynthesis of SO۴۲-/ TiO۲ and SO۴۲-/ TiO۲/SiO۲ as nano-catal ysts for O -acyla tion of ph enol

• Template Extraction from Mesoporou s MCM-۴ ۱ Nano-Structredin Different Solvent in present of Ultraso und Wave

• Elec trodeposition of silver on mu lti wall ca rbon nanotubes m odified gla ssy carbon electro de for sen sing and study of hydrogen peroxide d ecomposition

• DFT Stud ies of Inte raction between Main Grou p Metals a nd B۹N۹ Nanocone using by Electron Paramagnetic Resonance (EPR)

• E ffect of Eu concentration on photoluminescent p roperties of sol gel - derived nanocrystalline SrZn۲Si۲O۷ as a p otential p hosphor f or solid statelighting

• Molecular Dynamics Simulation Study of Thermal P roperties of the Au, Ni and AuNi۳ Nano wires

• The effects of process p arameter s on the p hoto-phy sical properties of a nanocrystalline b lue-emitting phosphor

• D ense coating of surface mounted CoW O۴ nanostr uctures on silk yar n, prepared by layer-by- layer method under sonicati ng

• Sy nthesis and Characterization of Ag Na noparticle@Acrilic fiber Und er Ultraso und Irra diation

• Electrosynthesis of polythiophen e nanowires on Anodic Alum inum Oxide Template

• Tunnel m agnetores istance of the syste m of ferro magnetic electrode/ Diamanta ne/ferrom agnetic electrode: A Greens function approach

• Eff ect of Magnetic Fie ld on the Liquid-Liquid Extr action with Magnetic N anofluid s

• The kinetic Study of polyaniline-alumina nanocomposite to so rption te xtile azo dye from aqueo us media

• sorption of React ive Red ۱۹۸ from aqueous so lutions by Al۲O۳ nanoparticles; A kinetic study.

• Removal of reactive o range ۱۲ by copper sulfide na no particle loaded on activate d carbon: kinetic an d isother m study of removal process

• The Evaluation of Research tools i nventions patentability in nanobiotechno logy

• Intellect ual Prope rty of Nan otechnolo gy in Rel ated International D ocument s

• Selective adsorption of asc orbic acid on molecularly im printed nano composit s of mesop orous silica SBA-۱ ۵/ polypyr role

• Synthesis of Fe ۲O۳/polyaniline co nducting nanocom posites

• Sim ple hydr othermal synthesis and chara cterization of high surface area niobia

• Synthesis of i mmobilized molybdenum on carbon nanotubes supported and study of it s catalytic activity i n the oxidation of m ethylphe nyl sulfide

• Preparation Functionalized Carbon na notubes supported Dioxobis (acetylacetonate) Molybdenum C omplexes and its c atalytic ap plication for the epoxidation of alkenes

• Quantitative investi gation of structural paramete rs contri butions on anthraquinones sol ubility in SC-CO۲ by QSAR coupled to ANFIS

• Application of modi¿ed nano-alumina as a solid phase extrac tion sorb ent for the preco ncentration and sim ultaneous separati on of Cu, Cd and Z n in water to flame atomic abs orption spectrometr y determ ination

• Synthesis of m olecularly imprinted nanoco mposits mesoporou s silica S BA-۱۵/p olyaniline for ۲,۴-d initrophenol

• I nteractions of Dox orobocin Anticancer Agent with Different Sites o f Graphene by Using Quantum Chemical Methods

• D ensity Fun ctional St udy of Do xoroboci n Adsorption on Boron Nitri de N ano Sheet

• Effect Impro ving nail and screw withdra wal strengths of ori ented strand bo ard (OSB) made fro m underu tilized lo w quality paulowni a (paulow nia fort unie) woo d employing nano-S iO۲

• Eff ect of nan oclay on screw and nail withdrawal of strengths of oriented strand boa rd (OSB) made from underu tilized lo w quality paulownia (Paulow nia fortun ei) wood

• Synthesis Nano sizeMeta stable tetragonal Zirconium Oxide

• pH Affect on the Structural a nd Morphological Properties of Barium Hexaferrite Nanopa rticles Synthesized by Co-precipitatio n Method

• Leaching of copper ۰xide nano parti cles from recycling sources

• Sy nthesis and Characterization of Sol-gel derived S iO۲-CaO-P۲O۵-Zn O Bioglass

• Investigating the effect of nanosilica partic les on mechanical properties of OCC fibe r-HDPE C omposite

• Synt hesis of T iO۲ –y-Al ۲O۳/ SO۴۲- solid acid nanocatalyst with impregnation me thod and its catalytic property

• U sing Gold nanoparticles as a solid carrier for lum inant molecules as a biocompatible label

• Synthesis P latinum- Polymer N anocomp osite by using Microemulsio n System

• Stu dy Contact angle of water d roplet wit h the surface of graphene oxide

• Electropo lymerizat ion and characteri zation of poly (anil ine-co-N- met hylaniline)/ silver n anocompo site

• Electroc hemical study and characterization of copolyaniline/Ag nanocompo sites as co nducting polymer in fuel cel ls

• Hydrothermal and Sonochemical Synthesize of nano TiO ۲ by Acid Leaching

• Adsorptio n Isotherm Study o f Ketotife n on Multi -Walle d Carbon Nanotube

• A dsorptio n Isotherm Study of Loratadine on M ulti -Walle d Carbon Nanotube

• Influence of O rganoclay on Compatibility of Different Ratio of Immiscible (S BR/NBR) Rubber Blend

• Fab rication o f NanocrystallineLa ۰.۶Ca۰.۴M nO۳mang anitesby sol-gel method and stud y of Magnetocalori c effect from indire ct measu rements

• De pendence of magnet ic properties of cob alt ferrite nanoparticles on b all m illing time

• Selective acet ylation of alcohols a nd phenols with recoverable nanocatalyst

• A ZnO-nanoparticle-promoted synt hesis of oxazole derivatives

• Effect of nano zinc oxid e on the h ind limb bud NMR I mouse e mbryos at in vivo conditio ns

• Advanced Isoconversional and Master Plot An alyses on Thermal Degradation Kineti cs of Nano camposite Reinfor ced with O ctasilane Polyh edral Oligomeric Silsesquiox anes

• Oxidized multiwalled carbo n nanotubes as efficient adso rbent for ۲- (۴,۵-Diphenyl- ۱-H -Imidazol- ۲-yle)۴- N itrophen ol

• Theoretical study of st ructural and electronic properties of single walled pure Silicon a nd Boron -Silicon n anotubes

• Low tem perature solvother mal synth esis of TiO ۲nanocry stallite: Effect of precursor concentration on photoca talytic activity

• E valuation of a Coupling Strategy to Obtain Biofunctional-Magneti c Nanoparticle for Bi odetection

• XRD evaluation of nickel-phos phorus n anoparticles lattice tensions in vari ous thermal annealing conditions

• Imp regnation of Porcel ain Pots with Silver Nanopar ticles via Pervapora tion and Study of the Effects on Pathogens (E scherichi a coli, Sta phylococc us aureus) in the Contacted Brot h

• Synt hesis and Photoluminesc ence Properties of Silica Capped Z nO Quantum Dots

• Fabricatio n of TiO۲ Nanofiber s via Electrospinni ng as Hig h Potential Ph otocatalyst

• T he effect of differe nt concent rations of nano-alumina and operatin g p arameters on Ni-Al۲O۳ nano-composite coatings

• Ana lysis of th e effect of chirality on stress intensity factor of e poxy/SWC NT based on multi-sca le method

• Use of nanostructure phragmites australies for nitrate r emoval

• Na noparticles assembly of y-Al۲ O۳ nanorods using y -AlOOH as precursor

• The rule of basic pH in characterization of AlOOH nanoparticles an dna nostructu res

• Study of Deposition Time and Concentr ation Eff ects on Properties of Nanocrystalline ZnS Thin Film s

• Comparing Photocatalytic activity of In- V Photochemical co-doped TiO۲ sol-ge l and Hydrothermal Nanopar ticles

• Ch emical syn thesis an d characte rization o f poly(۳- methylthio phene)/S iO۲ nanocom posites by inverted emulsion t echnique

• Preparation and characteriz ation of po ly(۳- methylthiophene)/SiO۲ na nocomposites: Chemical oxi dative met hod in bi nary organic solvents

• Enhanced photocatalytic and anti bacterial p erforman ce of nanosized Ag/ ZnO

• Degradation of ۴-Nitrophenol (۴-NP) Us ing Novel Composites as Zn O Nanoparticles Supporte d on Zeol ites

• Synthesis of V ertically Aligned C arbon Nanotubes U sing FC- CVD Method

• Study of relationship quantitativ eenthalpy absorption: n anotube-anionicsurfactant system as a case model

• Highly sele ctive extra ction and preconcentration of ultra-trace level o f mer cury ion i n water an d fish sa mples using Fe۳O۴-m agnetite-nanoparticles functionalized by t riazene compound prior to it s determi nation byinduc tively cou pled plas ma-optical emission spectrom etry

• A no vel extra ction and preconcen tration o f ultra-trace level of uranium ion usi ng functionalized magnetic-nanoparticles prior to its deter mination by induc tively cou pled plasma-optical emission spectrom etry

• Sy nthesis and characterization of mesopo rousPVP containing palladiu m nanoparticles using KIT-۶ as tem plateand it’sapplicationforc ross coupling reactions

• Polyme r/KIT-۶ nanocompo site: synthesis, characterization and controlleddrug r elease

• High Solar Photocatalytic Degrad ation of A zo Dye ( MB) by Bismuth Fe rrite Synthesized v ia Ultraso und Met hod

• Kine tic and th ermodynamic study of Cr (III) Adsorption by Nano Organic-Ino rganic Adsorbent based on ۴ H-pyarn-۴-one (E۳) and TEO S by Sol-Gel Method.

• Sy nthesis a nd usage Nano Org anic- Inorganic Ads orbent ba sed on ۴H - pyarn-۴-o ne (E۲) an d TEOS by Sol-Gel Method for Removal Ni(II)

• Synthesis and antibacterial evaluation of n ano-bioactive-glass es (NBG) by a quick alkali-m ediated s ol–gel met hod

• U sing of y-alumina porous nanoparticle s for loading and r eleasing of Mefenamic acid

• Synthesis an d charac terization of y-alum ina porou s nanopa rticles from Sodium alu minat liquor with two type surfactants

• Effect o f different acids to functionalization c arbon nan otubes

• Gold nanopart icle prod uction optimization by a met al-toleran t bacterium as an effe ctive clean technol ogical approach

• Th e electric field dep endence of hydrogen adsorption on silicon carbi de nanotube

• PANHs ad sorptiono nto CMK- ۱/SDS-Fe carbon m odified nanoporous sorbentby SPE-UVtechniquefrom aqueous media

• A Compa rative Stu dy for Re moval of Alizarin Red S from Aqueous Sam ples by M agnetic N anoparti cles of Fe۳O۴, CoFe۲O۴ and Fe ۳O۴ by Us ing Ionic Liquid as M odifier

• Study the possibility of CuO an d ZnO n anoparticles for the removal of h eavy metals from waste water s

• Heavy met als removal from aqueous so lutions using TiO۲, and Mg O nanoparticles

• Comparison of remov al of bro mothymol blue from aqueous solution by r awMWCNT and Zn(OH)۲ n anopartic le loaded on activated carbon Zn (OH)۲-NP -AC: kinetic, isoth erm and thermodyn amic inv estigation of rem oval process

• Sy nthesis of ۲-substitu ted benzimidazoles and ۲-aryl-۱H-ben zimidazo les using [Zn( bpdo)۲.۲ H۲O]۲+/M CM-۴۱ na nocatalyst under solvent-free c onditions

• Antimicrob ial Finishing of Wo olen Fabr ic by TiO۲/Ag Nan ocomposite

• S tudy on t he effect of nano-copper oxide particle s on mou se forelimb dev elopment under in v ivo condi tion

• Preparation and characterization of polypyrrole/sil ver nanocomposites by in terfacial chemical polymerization tech nique using silver ion oxidant

• Calculation of conducta nce in bilayer graphenenanoribbons under rotation

• Syn thesis of magnetic nanoparticles Fe۳O۴-immobilized guanidine and its appli cation as nanocatal yst in cya nosilylation of aldeh ydes

• Hydrogen Storage on Boron and Nitrogen doped SilconCarbi deNanotubes: A first principle study

• Preparatio n of flowerlike copp er nanoparticles by chemical reduction

• Study the effec ts of diffe rent meth ods for s upporting Fe on So dium Y zeolite on CNTs ch aracterist ics produc ed by CC VD meth od

• The studies of Equilibrium Adsorption of ۴-Nitroanilin fro m Aqueou s Solution Onto Mul ti-Walled Carbon nanotubes

• Nano-bentonite a s chemica l flocculantin papermaking process

• Effect of su bstrate te mperature on Ag/C :H films prepared by PECVD devices

• M agnetic N anopartic le Fe۳O۴ I mmobilized N-Pro pyl-Sulfa mic Acid a s Gr een and reusable N anocataly st

• Synthesis and collation of NiO nanopa rticles by base and acid and nonstruc tural inve stigation via XRD, FTIR an d SEM tec hniques

• Fa brication and Synthesizes of LSCO Na no composite via sol-gel method

• Nano structural LSCO as a good d ielectric

• Ma gnetic Nan oparticles Catalyze d N-Tert -Butoxyca rbonylation of Ami nes and A mine Deri vatives

• Prod uction and investiga tion of fo ur phase semiconductor layer(Al/AgNO ۳/glass) b y PVD me thod

• Fabricatio n and Ele ctrochemical Study of Silver and Copper Nanowires in A cidic and alkaline Environment

• A new meth od for sy nthesis and charact erization of Pt nano colloid an d investigation of nonlinear optical properties of this sample

• Synthesis and Functionalization o f porous nanosilica (SBA-۱۵) for remo val of bichromate from aqueous solut ions

• Quantum analysis of drain source curr ent of Gate-All-Around CdSe Na nowire F ield-Effec t Transistor

• A model rep resentati on for the temperature depen dence of t he gate-all-around Si-NW -FET threshold voltage

• Electrocatalyti c oxidatio n of formaldehyde at the surface of bi metallic C u/Pt p articles m odified carbon nan otube paste electrod e

• Nano-Ggenosensor fo r Point M otation De tection in Base of E LISA using nano- magnetic beads

• Morphological investigation of NBR/ PVC blen ds reinforced with function alized sing le- walled carbon n anotube

• Si multaneou s Determination of herbicides in Water Using M ulti-Walled Carbon N anotubes and chem ometrics Methods

• Synthesis, Modification and Application of Carbon N anofiber s for Removal o f Lead from Aqueo us Solution

• Acetonevap or sensing characte ristics of Ni-Zinc ferrite (Ni۰.۶ Zn۰.۴Fe۲O ۴) Nanoparticles prep ared by microwave method

• Eff ect of nanoclay par ticles on t he water a bsorption of polyprop ylene/Ca nola straw flour co mposites

• Effe ct of nan oclay particles on th e hardne ss strengt h of polyprop ylene/Ca nola straw flour co mposites

• Synthe sis and Op timization Perform ance of M odified G lucose Biosens orwith Colloidal Go ld Nanoparticles

• Prep aration and prope rties of bi odegradab le starch – ZnO nanocompo sites

• Preparation and Prope rties of S tarch Bas ed-Natrolite Nanobiocomposi tes

• Effect of Kaol inite’s cla ys on mec hanical properties and diele ctric const ant of medium v oltage ins ulating nanocompos ites based on polyvinyl chloride (PVC)

• Decay resistance of Nano Zinc Oxide treated Cotton wood

• The Effect of Som e Prameters on Photacatalyt ic Activity of TiO۲/M Nano Com posite

• [Cu(bpdo)۲.۲ H۲O]۲+–supported SBA-۱۵ n anocataly st catalyze d synthesis of benzoxa nthenone and ۲-am ino-chro mene deri vatives efficiently

• Pr eparation of polystyrene-Zn Onanoco mposite via solution mixingan d investigation its antibacterial prop erty

• Lantha num oxide as a diele ctric for t he future of CMIS devices

• Sol-Gel Synthesis and Investigation of (L a, Sr) CoO ۳ (LSCO ) Thin Fil ms

• Nanotube as a n Anti-H IV Deliverer?

• In vestigatio n of Inter action between Nanotubes and Anti-Ca ncer Drugs

• A study on sy nthesis of magnetic iron oxid e core / Z nS shell n anopartic les

• Inv estigation Thermodynamic Function o f Complex es between Nanotubes and Anti- HIV Dru gs: A The oretical Approach

• CuO n anostruc ture-catalyzed oxidation of alcohol to ketone

• Encapsulation Process in Synthesizing Polyurea Micro/nan ocapsules Containing Linseed Oil and it s Application in Self-Healing Coatings

• Surface Area Enhance ment of M gO/Mg(O H)۲by Hy drotherm al process in the presence of Chiral Ionic Liquid

• A tomistic S imulation of Meth ane adsor ption and diffusion in a model nanoporous carbon

• E ffect of A l-substituted on particle size and magn etic properties of Ni۰.۶Co۰.۴Fe۲- xAlxO۴ (۰ x ۰.۳) ferrite nan oparticles

• Application of Modifie d Sulfur Nanoparticles as a New Sorbent for Solid Phase Extraction a nd Determ ination of Linuron

• Fun ctionalize d nano sil ica as an e fficient c atalyst for Synthesi s of chrom ene derivatives by m ulti-comp onent rea ctions

• Func tionalize Nanopo rous Silica Gel as a New Sensor for Determinatio n of Metal Ions

• Preparation and characterization of IR spectrum LiNbO۳ n anopowders

• Fabrication an d characterization of a Nano- structured organic light emi tting diodeusing synth esis dye

• Application of ruthe nium nan oparticle loaded on activated carbon for re moval of methyl or ange from aqueous solution: kinetics a nd isotherm study

• Introduction of new na no composite in base of nano gold particles and poly L-methionin e for sim ultaneous determination of uric acid a nd xanthi ne

• Aniline to Polyaniline/silver nanocomposites via em ulsion po lymerizati on in th e presence of p-phe nylenedia mine

• Py rrole to polypyrrole/Ag nano composites via emu lsion pol ymerization

• Molecular D ynamics, Monte C arlo and D FT Studies of B oron-Nitride nanocones: pro perties in vestigatin g of B۱۰N۱۱H۷(Thr) ۲ in Diffe rent Temperatures and Solvents

• Effe ct of electrodeposition frequ ency on magnetic p roperties of Co۰.۹۳S n۰.۰۷ nanowire arrays

• Opti cal and structural studying o f Molybdenum-dop ed Vanad ium oxid e by sol-gel method

• Ads orption of Crystal V iolet Dye onto Carrageenan-Based Nanocompo sites Adsorbent

• Synthesis an d Study o f Nanostr uctural Properties of ZrO۲-CrO۲ Com posite

• Sorp tion processes of h eavy metals by natural and m odified b entonite using nano particles

• On the th ermal conductivity in methan e-propane binary mixture in nanochannels: A n on-equilibrium molecular dy namics approach

• Studying t he dispersion stability of surface treat ed nano silica particles in a U V-curable matrix

• Co mparison of efficien t removal of methyl orange a nd sunse t yellow with Gold nanoparticle loade d on Activated Car bon: Kin etic and Is otherm st udy of removal pro cess

• R emoval of sunset yellow fro m aqueou s solution on activa ted carbo n prepared from wo od of tam arik tree: kinetics and isother m study

• Zinc hydroxide nanopa rticles lo aded on a ctivated c arbon as a dsorbent for re moval of s unset yell ow: kinetics and isotherm study

• Cha racterizat ion of Zinc oxide na noparticle loaded o n activate d carbon and their efficient applicati on for re moval of muroxide from aqu eous solution

• In situ synthesiz e of Cu۲O on cotton fabric

• Th eoretical S tudy Rat e Constants and Photonic Radiation Wavelength of Electron Trans fer Endo hedral Me tallofulle renes C۸۰ _ C۸۸

• Molecular dynamics si mulations of adsorp tion and separatio n of Meth ane an d Carbon dioxide g ases on single walle d Carbon and Silicon Carbi de nanotubes

• P reparatio n and cha racteristics of poly imide/tita nia nano composite

• The first chemical synthesis Pol ythiophene/Ag Nanocomposi te by AgNO۳

• Syn thesis Polythiophe ne/Ag Nan ocomposites by use of Ag presynthesiz ed

• Investigation of optical properties dep endence to deposition angle

• Investiga tion of op tical properties dependence to deposition angle

• Synt hesizing and Characterizing of Silver/C opper (II ) oxide N ano composite on Nylon fabric

• C olored an d Functio nal Nylo n/Silver Nano composite: Synthesis and Characterizat ion

• Effe ct of some operatio nal parameters on d iscoloration of Aci d Blue ۱۱۳ via nano TiO۲ stabilized on concrete be d in photocatalytic process

• Synthesi s of Nanostructure MCM-۴۱ UsingStems of Phragmites A ustraliyA sh as Sili ca Source s

• Eff ect of treatment pro cess parameters on the surface characteristic of a hydrop hilic nano -silica

• Si mulation insights i nto the th ermal conductivity of carbon nanotube s bundles and carbon na nocomposites: A re verse non- equilibri um molec ular dyn amics stu dy

• Acidic Nanomagnet as a Green Catal yst for the Synthesi s ۱,۲,۴,۵-Tetrasubstituted I midazole

• Synthesis and application of mesoporo uspoly (N -vinyl-۲- p yrrolidon e) co ntaining palladium nanopart icles.

• Remov al of Cu( II) from aqueous solution by adsorption onto Polyacrylamid e/KIT-۶ NanoComp osite

• P roductio n and inve stigation about nan ostructur es of PbS thin films

• Magnetic properties of zigzag an d ladder Ti nanochains under pressure: Anab-initio study

• Effect of Polyaniline Nanoparticles on Thermal Be havior of Epoxy Ba sed Thermosets

• Synthesis of well define d polymer nanocom posite by polymeri cally mod ified silica

• Decolonization of indigo carmin e using sy nthesized nanocom posites zerov alent iron

• Evaluation of Rheologi cal Prope rties of Or ganoclay as Water -base Drilling Fluid in Iran

• Ab - initio i nvestigat ion of Tramadol adsorption o n the sing le - walled carb on nanotube

• Study of morphology an d optical properties of PVD F films aft er additio n of Au nanoprtic les

• Applying Ho mogeneo us Precipitation for Synthesis and Phys icochemi cal Ch aracterization of Cu O/CeO۲/ Al۲O۳ and CuO/ZrO ۲/Al۲O۳ N anopowders

• Ultraso und Assis ted Urea-Nitrates Combusti on Synthesis and Physicochemical Ch aracterization of C uO/ZnO/Al۲O۳ Na nopowder

• Ex perimenta l investigation on electrical conductivity of Fe۳O ۴ nanoflu ids

• Ca F۲ Nanop articles: S ynthesis and Char acterizati on

• Technical and Economical Eva luation Use of Nano Oil in Agricultur al Tractor Engines Co mpared w ith Conventional O il

• Sono-synthesis of Nanocomposite (TiO۲- Cu۲O) and Their Ap plication in Degrad ation of S urfactants from Aqueous Sol ution by Sunlight

• Synthesis and Ch aracterization of Tu ngsten O xide Intercalation Nanohybrid s

• Selec tive Oxidation Cat alysts Based on Car bon Nano tubes with Coavale ntly Attached to Molybde num Oxides

• Th e effect of multi wall carbon n ano tube s on NMR I mouse a nterior li mb bud develop ment in in vivo systems

• Effect of Catalyst on Grows of Diomond-like Carbon by HFCVD

• Calculati on of optic al properties of mu lti layers semiconductors by Kramers-Kronig method

• Synthesis of Magn etite Anio n-exchange Nanoparticles an d Their Application for Sep aration an d Preonc entration of Methyl Phospho nicAcid

• Str uctural Evolution of Nanocrystalline T i-Ni-Cu S hape Me mory Alloys Synthesized by Mechan ical Alloy ing

• Evol ution ofPhase Tran sformatio n in Nan ocrystallin e/Amorp hous Ti-۴ ۱Ni-۹Cu Shape M emory Alloys Synt hesized by Ball Milling

• Investigation of optical and s tructural propertie s of Mn d oped ZnO nanoparticl es, synthesized at ۰o C

• Morphology Predictio n of Tern ary Blend s and Their Nanocomposites via Thermod ynamic A pproach

• Developm ent of a N ew ChitosanNanofiber Mats Containing Silver Sulfadiazin e for Burn Dressing

• Pre paration o f Chitosa n Based N anofibers as a Potential Bur n Dressing by Electrospinning

• Synthesis, ch aracterization and photocat alytic activity of Mg /ZnO-Sn O۲ na noparticles

• Finite temperature Casimir interaction etween a perfectly conductin g surface and a permea ble surfa ce

• Na nosilica C ontaining Polypro pylene/Liq uid Cryst alline Polymer Blend

• C atalytic p erforman ce and ch aracteriz ation of Fe-V/TiO۲-SiO۲ nano catalysts promoted with Zn

• Elect rochemical Synthesis and Electrochem ical Char acteristic of Graphene-Supported P t Nanoparticles for Methano l Oxidati on

• Ultrasonic irradiati on and m agnetic polymeric s orbent for complete removal of p-nitr ophenol

• S tudy Effec tive Parameters onto Swellin g of Hydr ogel Nan ocomposite

• St udy Effect ive Para meteres on to Swelling of Hydrogel Nan ocomposi te And Diagra ms

• Sy nthesis of nanoparticles silica sulfuric acid (NPs SiO۲-OSO ۳H): a so lid phase acidic cat alyst for s ynthesis of biscoumarin deriv atives

• Pr eparation and elect rochemica l capacitive behaviors of nan ostructured molybdenum oxide

• One Pot Syn thesis of ۲-Amino-۲ -Chromene Derivatives with Zinc Oxide Nanoparticles as a Reus able Cata lyst

• S ynthesis of siliceous MCM-۴۸ and NiO /SiO۲ mesoporous m aterial via Ultrasound a ssisted sol-gel meth od

• Synthesis of silica nanocomposite MSN-polyMAA for oral d rug delivery

• The effect of nanoclayparticles o nthemech anical pro perties ofalmond s hell po wder- pol ypropylen e composite

• Rem oval amoxicillin fr om aqueous solutio ns by nanomagnetic s LaSrM No۳

• Studies on Enzyma tic Bioma chining of Copper b y Glucos e Oxidase

• The effect of n anoparti cles and e nzyme immobilization on the performa nce of biosensor Sulfite, b ased on glassy carbon electrode

• The effect of operating param eters on t he photoc atalytic removal of a ntibiotic G entamici n at aqueo us solutio n using UV-C irrad iated TiO ۲ na noparticles

• Synthesi s of NiO nanoparticles by precipitation method a nd their application as an effective adsorbent in the removal of Cr(VI) from aqueous solutions

• Thermal Resistance M agnetic N ano Composites B ased on Silicon- Resin Epoxy

• Removal and Separatio n of Calcon Dye from Wastew ater by Magnetic S olid P hase Extr action with Iron Ox ide Nano particles Modified with CTAB

• S ynthesis of nano-zeo lite: modification o f carbon paste elec trode using nano-z eolite and its appli cation for determination of d opamine

• Recovery and Synt hesis of N ano-Silver Particles from Medical W astes

• Enh anced activity and selectivity of Au/Zn O catalysts contain ing low CuO conte nt for pre ferential o xidation of CO in H۲ rich streams

• Effect of nano fluid on n atural convection fluid flow and heat t ransfer in an enclosure containin g a heated circular cylinder

• Poly(۳-methylthiophene)/TiO۲ Nanocomposites via Inverted Emulsion

• Su rface Plasmon Resonance of Silver Nan oparticles for dete rmination of ascorbic acid in food and Phar maceutical Samples

• Prep aration and Magne tic Properties of N anostruct ured Mn۰. ۵Zn۰.۵Fe۲O ۴ in Silica Matr ix

• So nochemically Synt hesis of NiMo/Al۲O۳ -ZrO۲ Nanocatalyst with Hig h ZrO ۲-Conten t for Hydr odesulphurization of Thiophene

• Nano-Pero vskites of LaFe(۱.۰, ۱.۲, ۱.۵ or ۱.۷)O(۳+į) as Catalyst of C O and U HC

• Effect of Ti O۲, Fe۳O۴ and Al۲O۳ nanoparticales on phosphor us removal from aqueous so lution

• Cesium sorption stu dies on mesoporous MCM-۴۱ impregn ated with potassium zinc hexac yanoferrate

• Sup porting of potassiu m lead hex acyanofe rrate on m esoporous MCM-۴۱ as strontium adsorben t: isotherm, kinetic and ther modynamic studies

• Synthesis of zirconia n anoparti cles in presence of citric acid or starch as emulsifier

• Synthesis of lanthanum oxide nanopartic les in presence of c itric acid or starch as emul sifier

• On the chemi cal synth esis and drug delivery response of nap roxen-loa ded PAA/PEG interpolymer com plex-coa ted magne tite nano particles

• Physical and mechanic al properties of pol yurethane/polyhedral oligomeric silsesquioxane ( PU/POSS) nanocom posite

• Synthesis of N anozeolite NaA Using Barle y Husk Silica: Mercury Remo val f rom Babolrood River and In dustrial W astewate r

• Cold Wall C hemical V apour D eposition Reactor Design for Synthesis of Carb on Nanotubes: Parametric Study

• Study of Physicoc hemical Behavior o f Anneale d TiO۲ Na notubes

• TiO۲/Fe: Ag nano composite: Synthesis and phot o catalytic activity

• Simultaneous Synthesiz e of Nano -Silver an d Polyester Hydrol ysis in Alkali Media along with Nano TiO۲ Application

• T hermal Stable and Self-Clean ing Hollow Fiber PET Nonwoven Usin g Nanoclay/Nano Ti O۲/Poly Siloxane Composites

• Applying Non-Therma l Plasma to Synthesis of Nanostructured Ni/Al۲ O۳-M gO Cataly st for Syn gas Prod uction from CH۴/C O۲

• Ultrasound Assisted S ynthesis and Char acterizati on of Nan ostructure d MnNiSA PO-۳۴ Catalyst Used in MTO Process

• Catalytic Perf ormance o f Ni-Co/A l۲O۳-Mg O-ZrO۲ N anocataly st toward CO۲ Reforming of CH۴: Effect of ZrO۲ Precursor

• Plasma Assisted Synthe sis of Nan ostructur ed Pt/Al۲ O۳-CeO۲ Catalyst U sed for Waste Gas Stream Treatment

• Ionic liquid- assisted formation o f Co۳O۴ nanopartic les

• Prepar ation and optical properties o f Porphy rin nanoparticles

• Pre paration of MWC NT-Al۲O۳ hybrid for the production of nanoemulsion with the applicati on in enha nced oil recovery

• Molecula r Dynami cs Simula tion of the Melting Process in Na۲۲ K۳۳ Nanoalloy

• Molecular Dynamic s Simulation of the Melting Process in Au۱۵Ag۴۰ Nanoalloy

• Optimization of bovine serum al bumin fibrillation: use of res ponse surf ace metho dology an d simple C ongored testing

• Dye Adsorption isotherm modeling onto Functional ized Nanoporous Silica

• Quantum scattering theory o f diatomic molecules with na nolayers

• Three-pa rticle qua ntum scattering vi a separab le potenti als: Applic ation to statistical mechanic s

• Determination and comp arison of formatio n constants of bis(۴- amino-۳-penten-۲-onato) c opper(II) and nickel(II)

• Anion-ʌ Interaction inC۶H ۳X…M- (X = H, F, CN, CH۳,and NH۲;M=Au, A g, and Cu) Complex es

• Ionization of Benzene, Toluene and Xylene via Charge or Proto n Transfer Re action

• Reduced Density Gradien t along Bond Paths in Differ ent Chemical Bond s

• Electronic Structure of Proto nated PA Hs: Acenaphthylene and Acenaphthene

• Theoretical consider of proper ties of oligo (۳-met hyl thioph enes) terminated with for myl

• ONIOM Ca lculation on the Int eraction between T TA Derivatives and Linear–De ndritic Co polymers

• DFT Study stabilities and EPR of the Cop per(II)hydrogenm alonate dehydr ate complex

• DF T Study o f Hydrogen-bondin g affects on ۱۷O and ۲H Electric Field Gradient Tensors of of the bis- -amino acid (S, S)-۱ molecule

• Protonation of Caff eine; Theoretical and Experimental Study

• C halcogen -Chalcogen Interaction; an Electron Density An alysis

• Calcu lation of Rovibronic Transition Intens ities for D iatomic Molecules

• Quantum m echanical study on the mechanism an d kinetics of the hydrolysis of Organ opalladiu m Complex [Pd(C NN)P(OMe)۳]+

• Theoretical Approaches Of Structure and Conformation Of a., B and y Cyclodextrin

• DFT study on the mechanism for formation of olefin complexes in the re action between pall adium(II) and maleic acid

• Experimental an d Theoretical Study of Valen ce Photoe lectron Spectrum o f Proline Amino Ac id

• Intramole cular Hy drogen Bo nding in ۵-Nitrosalicylaldeh yde: Infrared Spectrum and Qu antum Chemical C alculatio ns

• Meta -stable excited stat es of Cl۲۲ -

• Spectroscopi c constants and molecular properties of Obr- and OCl-

• Prediction of gas chromat ography retention of alcohols based on quantum chemica l parameters

• Interaction of Potassium ion with A mino Acids(alanine) as Buil ding block of Proteins: A DFTand HF study

• Inter action of Potassium ion with Amino Ac idsand the net char ge on the carbonyl of the fr ee bases: A DFT stu dy

• Infl uence of structural features o n ion mo bility spectra of Sub stituted Benzaldehyde is omers at atmospheric pressu re and different te mperature

• Three-pa rticle qua ntum scattering vi a separab le potenti als: Applic ation to statistical mechanics

• The effect of phenyl subst itutions on the structure and metal- li gand bond stre ngth of c opper acetylacetona te. A DFT study.

• DFT study on the mecha nism of t he Forma tion of Mo nodentate Acetate C omplex of Palladium(II)

• Considering the one-elect ron density of hydr ogen ion molecule within the context of the Ho oke – Cal ogero model

• Interaction b etween stretching a nd bendi ng modes in Napht hazarin hydro gen bond

• Hydrophilic gel compo sition eff ect on the molecula r association and spectros copic beh avior of M ethylen blue

• Proton Transfer in X-Anil ide–HF: Can the S ubstituent s in Para Position o f Anilde ion Influ ence the N - ...H–F N–H ...F- Switchin g

• Theor etical investigation of phenyl group effect as an end-substitution o n electronic propert ies of oligothiophenes

• A DF T study on structu ral proper ties of phenyl-capped oligoth iophenes

• Absor ption Spec trum of S O۲ Molecule: Including S۱–S۲ Vibroni c Coupling

• Conformational analysis of Cystein e side chain for HC O-L-Cys- L-Ala-NH۲ protected dipe ptide. A DFT study

• Conformational analysi s of Cysteine side ch ain for HCO-D-Cys-D-Ala-NH۲ pr otected dipeptide. A DFT study

• Potential ene rgy curve s of the ۳ Σ+ and ۱Δ states of the HCl ۲+ dication

• Deter mination o f the pote ntial ener gy curves of diatom ic bound electroni c states usi ng the energy- consistent method

• Self-association of thiazine dyes i n aqueous and aqueous urea solutions

• Ana lysis of vi ronic str ucture in electronic spectra of large polyatomic molecules

• Excite d state electric dipole moment of thiazine dyes: A compar ative stud y

• Altere d Lumines cence Efficiency of Cadmium Sulphide Quantu m Particle s via co-dopi ng NixZny ions

• Quantum mech anical stu dy on the mechanism of nucl eophilic su bstitutio n reaction o f Į-Chlorododecyl Carboxylate with t rimethylamin

• Nucleus-independent ch emical shift (NICS ) profiles in aromaticity and reactivity patterns of Ferroce ne complexes

• Molecular structure and Specteroscopic a nalysis (F T-IR, UV-VIS, ۱H NMR) of Ciproflox acin via Quantum liquid DFT calculat ion

• DFT pr ediction on pKa of L-dopa in an aqueo us solution

• Laser Mass Spectrometry of Alkali-Earth Halides

• Calculation of D ecay Rate Constan ts of ۲۱Ag ۱۱ Ag Internal Conversion in trans, trans-۱, ۳, ۵,۷-Oct atetraene

• Dyn amic NM R of Ranit idine: An Empirica l and Co mputational Study

• Influence of C u+۲:Mn+۲ c o-doping ZnS Nan oparticles on Light Emission Efficiency

• Spectrophotometery stud ies on the interaction of new complex, tribromo phenantridin e aurum (III), with calf thymus DNA

• Vibr ational Assignment and Density Functional The ory Calcu lations of N-salicyl ideneaniline

• Simulation of photoelect ron spectrum of CH ۳CH۲OO-

• R ed-shiftin g and Blu e-shifting Halogen Bonds; a QTAIM Study

• S chrödinger Equation under a q-Deformed Mors e plus Coulomb Inte raction

• The Exponential Potential within a Semi-relativistic Tw o-Body formulation via N ikiforov- Uvarov T echnique

• Spe ctral stud ies on the binding of cationic Zn(II)tet rapyridin oporphyr azine to ca lf thymus DNA an d oligonuc leotide

• Study of multi-nucleon syste ms in the hyper central approach

• Study of two-body systems in the Yukawa potential

• DFT Investig ation of t automerism in ۶-fl ourothymine: Com parison betw een gas p hase and solution

• DFT I nvestigati on of transition state of tauto merism i n ۶-flourothymine in chlorof orm solvent

• Photoelectron spectra of Oxyacids of Nitrogen in Gas phase an d Solution

• A no vel view of the interaction b etween PL GA-PEG-PLGA with HSA sy nchronou s fluoresc ence spectroscopy m ethod

• Quantum mechanical study on th e mechanism of coordination of indole derivatives to Palladium (II) Ions in Complexes

• Novel furandica rboxylate derivativ es as exce llent fluorescence standards: spectroscopical and electroc hemical study

• Vib rational a ssignment and structure of V anadyl a cetylacetonate: A density function al theore tical study

• M olecular structure and intramolecular hydroge n bonding of ۴-phenylamino -۳-penten -۲-one an d its para substituti ons. A DFT study

• Struct ural and S pectroscopic (NMR , IR, and UV) analysis of Le mofloxacin via D FT quantu m chemi cal studies

• Tautome rization in imide co mpounds; DFT and NBO studies

• St ructure, tautomerism and intramolecu lar hydro gen bonding of ȕ-ketosulfo xide compounds

• Determination of Dunha m constan ts and potential en ergy curv es for InH from co mbined an alysis of UV/visible and infr ared spect ra

• The study of mixed micellization of Hyamine and Trit on X-۱۰۰ in water-buthanol mixtur es

• Equ ilibrium biosorptio n isother m for neutral red o n persimm on leaf

• Stu dy of surf ace molar area of co mponent in organic binary mixtures

• Applying a new correc tion in Jouyban-Ac ree model to predi ction of organic binary mixtures su rface tensi on

• Study of therm odynamic dye removal from solutions by using b iosorbent

• Kinet ic survey and therm odynami c modeling of reduc tion COD sewer by adsorbents: in methanol unit of Fanavaran petrochemical company

• The rmodyna mic of the Co (II) ad sorption onto silica aerogel-a ctivated car bon nano composites from aqueous solutions

• Thermody namic and kinetic study of adsorption Direct red ۸۱ on sonc hus arvensis

• Prep aration of Poly Pho sphoric A cid Impregnated on Silica Gel (PPA-SiO۲) and study of its activity for t he Synthe sis of ۱,۲,۴ ,۵-Tetrasubstituted Imidazoles

• Ane xperimental study o n the surf ace prope rties of a queous so lutions of cyclic a mino acid s

• Calculation of surface tension, s urface entropy, surfaceenthalpy, and surfac e excess co ncentration of org nic binary mixtures

• Application of the UNIFAC mo del for Es timation o f Relative Gibbs Ad sorption and thickness of the surface la yer in the binary m ixtures

• Self – Assembly in System of Leciyhin and Nonionic Am phiphile f rom NMR Studies

• Phase Behavior and Phase Strutu re for Catanionic S urfactant Mixture: Dodecyltrimet hlammonium Chloride-Sodium Nonan oate-Wate r System

• The Kinetics &Termod ymic Study on adsorption of ascorbic acid using SiO۲ and PPy/S iO۲ nanoc omposite

• Rel ationships between surface tension and bulk properties of organic liquids

• Surface ten sion prediction for binary solutions

• Adsorp tion of Ba sic Violet ۱۶ from Aqueous Solutions by Waste Sugar Be et Pulp: Kinetic and T hermodynamic Studies

• Surface Tensi on Predict ion for P ure Compounds by Using of Different Methods

• The use of Scale d Particle Theory and Develo ped Scaled Particle Theory in Predicting the Surface T ension of Pure Co mpounds

• A Study Upon The Role of A B-Reducer Co ntained S olution In A Direct Elec trodeposition of Ultrasoft and High Magnetic Moment NiFe films

• Determ ined the Lyophobicity for Binary Mixture with Extended Langmuir Model

• Surface Tension Prediction for Liq uid Organic Solvents

• Adsorption of Sulfur Compou nds from Liquid Fuel by Carbon Na noparticles Dispers ed in Aqu eous Phase: Kinetic and equilibriumS tudies

• FT-IR study on the int erfacial interaction of novel N eutral Polymeric Bon ding Agent contain ing NCO group wi th RDX

• Investigating Synergis m in Critical Micelle Concen tration (CMC) of cationic-nonioni c surfactantmixtures

• Prediction and Correlation of Surfa ce Tensio n Data for Binary System at Vario s Tempe ratures: D MSO - L ong Chain alcohols

• Fixing of nickel nanopar ticle on a rtificial ve rmicolite substrate in acidic media and study their catalytic pr operties in vegetable oil hydrogenation

• Application of Shereshefsky Model to Binary Mixtures:Surfac e Analysis for Calculating Su rface Ten sion and Surface Parameters

• Simultaneous I nfluence of SDS Sur factant a nd Uni-Un ivalent S alts on the Inter facial Tension of To luene-Wa ter: A New Insight

• Inh ibition by cetyltrim ethyl am monium bromide of the corro sion of stainless steel in NaCl solution

• Removal of Red S-DS W (a disperse dye) from Aqueous Solution by a ctivated carbon: A study of equilibrium adsorption isoth erms

• Synthe sis of Mo/ZSM-۵/H MS bipor ous catal ysts with t he high st ability fo r dehy droarom atization and cataly tic conver sion of methane to benzene

• Invest igation of isotherms for Ads orption of Methyle n Blue dy e (MB) by nano layer of electroactive polymer

• Surface tensio n measurement of Pure Ioni c Liquid, ۱- hexyl-۳- methyl imidazolium Bromide [HMIM][Br] in different temperature

• Ads orption of phenol o n bentonit e: A stud y of equilibrium adsorption isotherms

• An experimental study on surfa ce propert ies of amino acid so lutions

• Na no silica phosphoric acid as an efficien t eco-frie ndly catalyst for synthesis of ar yl ۱۴H-dib enzo[a,j] xanthene s in therm al and solvent-free con ditions

• Half -metallic Ferromag netism in the Zinc-blende MS(M=Li, Na & K) u nder Pressure and Stress

• An inv estigation on interfa cial interaction of AP and T ris-(۲-hydroxyethyl)-isocyan uratevia F T-IR and FT-Ram an

• FT-Raman and FT-IR study on interfacial interac tion of T ris-(۲-hydroxyethyl)-is ocyanuratewith AND

• Adsorp tion of Eo sin Y usi ng polyaniline-beach sand nanocompos ite: kinet ic and thermo dynamic s tudies

• Predict ion of surface properties of b inary ref rigerant m ixtures w ith density (volume) based mo del

• Boron d opeddiam ond like carbon na nocrystalby HFCVD

• The s ynergism between nanostruc tured Cd S and Cd O in photo catalytic degradation of methyle ne blue

• Ultraso und-treate d TiO۲ for removal of anionic surfacta nt

• Kinetics and thermodyna mic stud y of aniline adsorpt ion by SBA-۱۵ with non -ionic sub strate (P۱ ۲۳) from aqueous s olution

• Water proofing material fo r inhibition of am monium n itrate hygroscopicity by micro encapsulation