20th Iranian Conference on the Chemistry of Physics, مرداد ماه ۱۳۹۶

Accepted papers in 20th Iranian Conference on the Chemistry of Physics

• History of Physical Chemistry

• Docking and Molecular Dynamic Simulation in Virtual Screening for computational Design of Novel αβ-Tubulin and Survivin Inhibitors

• Photophysics of Organic Compounds: Theoretical Studies

• Understanding the molecular origin of surface phenomena in water/metal interface based on molecular dynamics approach

• Graphene and graphene doped surface as metal free catalyst for oxygen reduction reaction

• Heterogeneous Photocatalysts: Promising Materials to Address Energy and Environmental Challenges

• Physicochemical properties of PAA-GO-Amylose nanocomposite hydrogel

• Binding forces between bovine milk β-lactoglobulin and novel palladium(II) complex

• Investigation of Surface and Micellar Properties of Mixed Cationic Surfactant and Ionic Liquid in Aqueous Medium

• Examination of Optical Spectroscopy of Cadmium Chalcogenide Nanocrystals

• DFT study on the structural, properties and electrical conductivity of all Fluorostyrenes

• A Density Functional Theory study on the oligomers of the 1-Fluoro-3-(2-Fluorovinyl) benzene as a nanopolymer

• Hydrogen solar fuel generation from photocatalytic decomposition of H2S-containing media via nanostructured solid-solution semiconductor

• Liquid Phase Equilibria of the System (Water + Phosphoric acid + Amyl acetate) at T = 308.2 K

• Measurement of phase equilibrium data of ternary aqueous solution of phosphoric acid with ester using thermodynamic models at T=318.2 K

• Thermodynamic properties and sPC-SAFT modeling of 2-ethoxyethanol, 2-propoxyethanol and 2-butoxyethanol from T = (293.15-413.15) K and pressure up to 30 MPa

• Production and Identification of V2O5 Nanoparticles Using Hydrothermal Synthesis Method

• Alkenes oxidation with hydrogen peroxide by Silica porous and Ultralight with covered metal oxide using Phase-boundary Catalysis method

• Molecular dynamics study of water oil separation by polymer surface

• Molecular dynamics study of water oil separation by nanoparticles

• A novel molecularly imprinted sensor for imidacloprid based on poly (levodopa) /TiO2 nanoparticles composite

• Biophysical Study of Human Serum Albumin upon Interaction with La2O2CO3 Nanoparticles

• Effect of ZnS shell on optical properties of Ni-doped ZnSe nanocrystals

• The electrical and structural study of interaction HCN gas with SiCNTs : A DFT approach

• DFT study of potassium decorated γ-graphyne: Electronic structure and optical properties

• Prediction of elastic properties of TiSe2 nanosheet under external electric using density functional theory

• The Role of Functionalization of Crbon Nanotube in Delivery of Gemcitabine

• Asphaltene Adsorption onto SiO2 nanoparticles and demulsification behavior

• Synthesis of PEGylated iron oxide nanoparticles as drug delivery carrier

• A Novel Sonochemical Method for the Synthesis of Amorphous Iron Oxide Nanoparticles and Its Photocatalytic Application

• Sustainable super-fast adsorptive removal of DBA and BPA from water by a Novel nanocomposite adsorbent

• ration of spherical super magnetic iron oxide nanoparticles and its application as drug delivery systems

• Microemulsion route to fabrication of biocompatible spherical gold nanoparticles

• Sodium Adsorption on Boron Nitride Armchair Nanoribbon: Insight from DFT

• Effect of zinc oxide nanoparticles on azo dye

• Atomic Scale Investigation of nitrogen doping effects on the structural and electronic properties of Boron Nitride Embedded Armchair Graphene Nanoribbons

• Optimization of Tensile Strength of NBR/PVC/NiFe2O4 Nanocomposites Using Response Surface Methodology

• Synthesis of Cr, Si/TiO2 nano particles by sol-gel method and modelling of their photocatalytic performance utilizing experimental design with response surface methodology(RSM)

• Response surface methodology (RSM) for optimization of water treatment by Fe3O4@SiO2@Cr–TiO2–S nanocomposite and enhanced performance with deposited Ag on the its surface

• Preparation and Evaluation of Manganese Catalysts of Alumina and Mesoporous Silica Mesh (HMS) (Mn / Al2O3, Mn / HMS) and their Catalytic Activity in Liquid Phase

• Preparation of polymeric nanocomposites with hollow spherical structure composed of magnetic nanoparticles by microemulsion method; Application in deep desulfurization

• Investigation of acetone as co-solvent on performance PES nanofiltration membrane

• Advance polymeric membrane to CO2 separation

• Modeling of Systems Containing Glycols with CPA EoS and Performance Investigation of the Two Different Association Schemes

• Correlation between Fractional Free Volume and Diffusivity of CO2 Gas Molecules Through Neat and Blended Pebax Based Membranes

• Polymer Reaction Engineering Department, Faculty of Chemical Engineering, Tarbiat Modares University, Tehran, Iran

• Size –Controlled Synthesis of Ni-MgO nanoparticles in CO2- steam reforming of methane

• The effect of magnetic field on particle Size of NiO nanoparticles

• Preparation and characterization of cation-exchange membranes based on polycarbonate (PC) & acrylonitrile butadiene styrene (ABS) modified by NiFe2O4 nanoparticles

• Studying the effects of Gas&Liquid velocities in modeling of the simultaneous removal of CO2 and H2S using MEA in a hollow fiber membrane contactor

• Simulation of the absorption tower of the gas dehydration unit and estimation of the BTEX solubility in TEG

• Prediction of water content of carbon dioxide using the PC-SAFT equation of state

• Fabrication of polyethersulfone based nanofiltration membrane modified by Tio2 nanoparticles

• Effect of β-cyclodextrin based polyester on the reduction of DEHP migration in plasticized PVC

• Mathematic modeling of purification of biodiesel with PES polymeric membrane

• Evaluation of CO2/CH4 Gas Separation in PVA and PVC Mixed Matrix Membrane Permeation Models

• Preparation of polyethersulfone membrane coated by a nanocomposite structure

• A DFT study of cooperativity effect on stability and NLO response of bifurcated lithium bonds

• Mechanism Interpretation of Thermal Decomposition Reactions of Vinyl Ethers in Gas Phase Using DFTMethod

• A theoretical study on the role of ortho, meta and para situation of different electron donating functional groups on the electronic structure and aromaticity of phenol molecule

• Investigation of the role of ortho, meta and para situation of halide functional groups on the electronic structureand aromaticity of phenol molecule

• Theoretical study of the ortho, meta and para substitution of different electron withdrawing functional groups in phenol derivatives

• DFT Study and Molecular Docking Simulation of Some Lung Cancer Drugs with Epidermal Growth Factor Receptor Tyrosine Kinase

• DFT Study of a Novel Cucurbit[n]uril-type Molecular Container

• A theoretical study on the structure, strength and bonding properties of bifurcated chalcogen bonds:

• DFT calculations and thermodynamic stability of sulfa drugs

• Ab initio calculations of the molecular structure and vibrational frequencies of fluorinesubstituted pyrroles

• Computational study of solvent effect on ruthenium catalyzed click synthesis of 1,2,3-triazoles

• ONIOM Study of Binding Affinity of Breast Cancer Imine Drugs to Estrogen Receptor-α

• Substitution effect on singlet-triplet energy gap and electrophilicity of silylenes at Density Functional Theory

• A computational study on Gauche Effect of C8H15O-X (X: OH, NH2, CH3) Conformers

• Theoretical Study on the Reaction Mechanism Of NH And HO3

• Ion-Pairs Formed in [MiM+]2[C(CN)3 -]2 Ionic Liquid: A Theoretical Study

• Theoretical Study on Cooperative Effects between the Hydrogen Bonding and Anion-Π Interactions in Ternary Complexes of C6H6-M-YBBY (M= F-, Cl- and Y= CN, CO, F)

• Quantitative Structure Property Relationship Models for the Prediction of Heat Capacity of Amino Acid Derivatives Using Topological Indices

• Physisorption of toxic cyanogen gas onto exterior surface of pristine Al12N12 nanocluster: A theoretical study

• Boron nitride nanotubes (BNNTs) as a potential sensor for detection of hydroperoxyl radial (HO2): A DFT study

• Tuning the Electronic Properties of C59M Hetro-Fullerenes; Computational Approach

• Application of decaborane (B10H14) and its fluoro derivatives as an anode in Li- ion battery: A DFT Study

• Estimating the Boiling Point of Amino Acids by using QSPR and MLR methods

• Applications of Graph Theory to modeling and predicting some physico-chemical properties and QSPR study

• Quantum hard spheres in a slit pore

• Theoretical study on the atmospheric reaction of Hydroxycyclohexadienyl with acetylene using DFT calculations

• QSPR Study on the Estimation Melting Point of Barbiturates by Using Topological Indices and MLR Method

• The influence of the Li2 interaction with pristine and halogenated B10H14 on their electronic and nonlinear optical properties

• QSPR Study on the Estimation Solubility of Barbiturates by Using Topological Indices

• A Computational study of pristine and Al-doped boron nitride nanosheet as CNCl sensor

• Quantum Chemical Evaluation of Optoelectronic Properties of Oligoselenophene:Fullerene BHJ Solar Cells

• Theoretical Study of the effects of some electron donating groups on intramolecular hydrogen bonding in a phosphorus ylide of pyrrole

• Molecular Dynamic Simulation of 5-Fluorouracil Drug Adsorption in Zeolite Imidazolate Framework ZIF-8

• Release of Mercaptopurine Drug in Zeolite Imidazolate Framework ZIF-8 by Molecular Dynamic Simulations

• A theoretical study on the [Al(DFX)2]3-, [Fe(DFX)2]3- and [Ga(DFX)2]3- complexes

• Theatrical study of the effects of some electron withdrawing groups on intramolecular hydrogen bonding in a phosphorus ylide of pyrrole

• Photoswitching in 11H- indeno[1,2-b]quinolin-4-ol (HIQO): A TD-DFT approach

• A DFT study on all Chloro-2,3-dihydrothieno[3,4-b] [1,4] dioxines

• Computational study on oligomers of 2,3,5,7-tetrachloro-2,3-dihydrothieno[3,4-b] [1,4] dioxine as intelligent nano-conducting polymers

• Density prediction of aliphatic hydrocarbons using nonlinear group contribution method

• GA-ANN modeling for density prediction of hydrocarbons over a wide range of temperature and pressure

• A theoretical assignment of the stability of the isomerism in coumarin

• A Molecular Dynamics Study of SO2 Sorbed in Nonporous Silica Y Zeolite: Temperature and Loading Dependence

• Predicting the entropy of benzene derivatives Using Topological Indices and Quantitative Structure Property Relationship

• Interaction between nanostructured tetrazolium based ionic liquids and aromatic sulfur compounds: A M062X functional approach

• Comparison of the Adsorption of Sulfur Mustard on Graphene and Graphene Oxide: A Molecular Dynamics Simulation Study

• Adsorption of Baclofen drug on Silicon Carbide nanotube as a new drug delivery system: A theoretical study

• Theoretical study of oxidation of acetonitrile with nitrogen trioxide and formation of secondary organic aerosol

• QM study on the mechanism of Carbonic anhydrase II inhibition with non-zinc mediated inhibitor

• NO Oxidation Catalysed by Ir3M (M= Ir, Co, Cu) Nanoclusters

• A DFT study on sensing performance of Cu-decorated Si12C12 (Cu@Si12C12) nanocage for detecting toxic cyanogen gas

• Theoretical Studies on Nonlinear Optical (NLO) Response of Si12C12 Nanocage Decorated with Alkali Metals (M = Li, Na and K)

• Theoretical investigation on gas-phase reaction of C2H6 with HO2

• Study of functional groups effect on the stability of single-walled carbon nanotubes with different diameters

• QSPR modeling of thermal energy and entropy of amines using molecular descriptors

• Theoretical Study on Interaction of Boron-nitride Nanotube Ammonia as a Biomarker Gases

• Theoretical Study on adsorption Hydrogen cyanide of Pristine and Doped Boron-nitride Nanotube

• Experimental and Theoretical Studies on Acid Dissociation Constants of 4-Hydroxycoumarin

• Theoretical investigation of 4-(2,3-dihydro[3,4-6][1,4][dioxin-5-yl) aniline copolymer

• DFT calculations on 2-N-ethylidyneaminiumoxane, 2-N-ethylidyneaminiumthiane, 2-N-ethylidyneaminiumselenane

• Doping the Buckminsterfullerene by Nitrogen Substitution (C54N6); a Density Functional Theory Study

• Determining the octanol-water partition coefficient of amines using MLR method

• A DFT study on the molecular hydrogen (H2) storage on Sc-decorated B36 nanosheet

• Computation of Heats of Formation for Imidazolium-Based Ionic Liquids Using G3(MP2) Compound Model Chemistry

• A DFT Study of Adsorption of Anti cancer drug Phenoxodiol onto the surface of BNNT and BNNT-Ge Nanotubes

• Conformational analysis of 2-(((1-phenylethyl)imino)methyl)phenol and its halogen substitutions, as a Schiff base with chiral carbon, A DFT study

• Fluorine Lewis Acids

• Quantum mechanical comparison between two isomers of C24 fullerene nanocage

• Intramolecular hydrogen bond strength in three stable conformers of 2-(((1-phenylethyl) imino) methyl)phenol and itshalogen substitutions, as a Schiff base with chiral carbon; A theoretical study

• Molecular Dynamics Studies of Cation Aggregation in two Amino Acid Ionic Liquids

• Electric Field Gradient for Prediction of Effect of Cation Na+ on Nucleic Acid Bases, Aromaticity by Cyclic References

• Molecular Dynamics Simulations of the effect of Trifluoroethanol on the Conformation of asynuclein peptide

• Al-doped Boron Nitride Nanosheets as CO2 Gas Sensor: A DFT Study

• The influence of non-covalent interaction of PHCl2 on the activation energy of Aza-Diels-Alder Reaction

• Computational investigation on the ground and low-lying electronic states of PH

• Van der Waals interaction of nitrobenzene with Pd (111)

• DFT study of Molecular structure, and optical properties of charge transfer complexes derived from Tetrathiafulualene and Tetracyanoquinodimethane derivatives

• Simulation of Clonazepam and Diazepam in DPPC membrane: Investigation of the movement

• The study of photo-tautomerization in Coumarin-benzothiazole as a drugnanocarrier

• A computational and conceptual DFT study on the mechanism of producing 3,8- dimethyl-3H-imidazo[4,5-a]acridine-11-carbonitrile DFT study

• Fluorin subfield placement.a thEretical study

• Doping fullerene by Boron Substitution; a Theoretical Study

• Theoretical study on the mechanism of the NH3 plus NO reaction on the doublet potential energy surfaces

• A First-principles study of Li adsorption and diffusion on graphene nanoflakes under the effect of external electric field as an anode material for Li-ion battery

• Decomposition of activation barrier of the Aza-Diels-Alder in the presence of PHX2 (X=F, Cl, Br)

• Interplay between hydrogen bond and single-electron tetrel bond: H3C···COX2···HY and H3C···CSX2···HY (X = F, Cl; Y = CN, NC) complexes as a working model

• Theoretical study of substituent effects on the barrier energy of CH2NH + NO reaction in gas phase

• DFT Investigation C16Be8O8 nano–cage as selective nano–sensor for CO and NO gases

• Theoretical study on the mechanism of the glyoxal plus O atom reaction on the singlet potential energy surfaces

• DFT Investigation of Adsorption of F2 Molecule on Pristine and defected Graphene

• Structure determination of noble metal clusters using resonance Raman scattering: determination of the efficiency and sensitivity of the messenger technique

• Cooperative and diminutive interplay between the sodium bonding with hydrogen and dihydrogenbondings in ternary complexes of NaC3N with HMgH and HCN (HNC)

• The response of rational barrier of spindle ring of single-molecule electric revolving door

• DFT study of structural and electronic properties of N-Doped Graphenylene

• Nature of Metal-ligand Bond in some derivatives of [(NHC(R))4Re(N)(Y)] complexes: (Y= F, Cl, Br; R=H, CH3, F, Cl, Br): A Theoretical Study

• Hydrogen bonding interaction between a new Schiff base ligand and H2PO4¯: A DFT study

• Simulation of Hydrated Nafion as Fuel Cell Membrane by Dissipative Particle Dynamics

• Computational examination of functionalization of the armchairboron-nitride nanotubes by borazine

• Semi-empirical Quantum Mechanical Methods for Tetracycline Interactions on Graphene

• Quantum chemistry study on the regioselective behavior of 1,3-dipolar cycloaddition reaction of azides with various substituted cyclooctynes

• Quantum chemistry study on modification of poly (styrene-co-maleic anhydride) with 5-amino-4-imidazole carboxamide

• Theoretical study on the gas phase reaction mechanism of methanethiol and nitroxyl

• Theoretical analysis of pi-type hyperconjugative interaction

• A computational study of 1:1 and 1:2 clusters of NAP and DME

• DFT study of interaction of Agon and Eozin dyeon functionalized single-walled Carbon Carbon Nanotubes

• Chemical functionalization of single-walled boron nitride nanotube with 1,2,4 triazolium based ionic liquids

• Study on the Interaction Energy of Imidazolium and Pyrrolidinium-Based Dicyanamide Ionic Liquids: The Effect of Alkyl Chain Length

• A computational investigation on the excited-state intramolecular proton transfer (ESIPT) process in o-Hydroxy analogues of green fluorescent protein chromophore

• Elucidation of the Spin-Orbit and Relativistic Effects on the Plasmon Excitations of Silver and Gold Nanowire: Time-Dependent Density Functional Theory

• Ab initio study on the structures and stability of cationic nanoclusters

• A theoretical study to evaluation of inhibitory activity of methyl 2-(phenethyl amino)acetate(C60-Ih)[5,6]fullerene

• Allicin on single-walled carbon nanotubes zigzag physical adsorption using density functional theory

• Jahn-Teller effect study of structural deformetion of neutral ,anionic and cationic SO2 molecule structural

• A Closer Look to Le Châtelier’s Principle Based on Microscopic Approach

• A Simple Method for Education of Void Space in Solids

• Modeling Trial for chemistry tenth of high school base on green chemistry from the experts and related teachers

• Modeling of experiment base on green chemistry for tenth chemistry of high school from the view point experts and related teachers

• Alkali halides as positive and negative ion source for ion mobility and mass spectrometry

• Excited State Proton Transfer Process In The 2-hydroxy –N-Salicylidene Schiff Base

• MRCI calculations for the low-lying electronic states of ScH and ScD

• Lattice energy of Alkyl Boron and Alkyl Carboranes

• Coarse-Grained Simulations of Freezing Behavior of Water-NaCl Mixtures

• Melting/Freezing Behavior of Water Confined Between Two-layer Graphene Nanosheets

• Molecular Dynamics Study of Dynamic Criteria of a Nanoalloy ina Melting Process

• Study of structure of liquid water on TiO2(110) using molecular dynamic simulation

• Hydrogen bonding of water molecules on TiO2(110): Amolecular dynamic simulation approach

• Photoswitching of SalicylidenemethylFurylamine: A Theoretical Photodynamics Study

• Investigation of mechanical properties of polypropylene grade 550 J reinforcedby Inorganic Nucleation Agent

• Prediction of Hydrate Dissociation Conditions for system of Tetrahydrofuran + Water

• Calculation of Density of Ionic Liquids From Development Redlich-Kwong Equation of State

• Liquid–liquid equilibria of aqueous two phase system containing of PEGDME 2000 and (NH4)2 SO4 at different temperatures and its application in partitioning of lactic acid

• The effect of polymer molar mass on the aqueous two-phase system containing Poly ethylene glycol dimethyl ether and ammonium sulphate at 298.15 K and its application of this system in partitioning of iodine

• Prediction ofLiquid Phase Equilibria for Water + Valeric Acid or Levuliniv Acid + Dimethyl Phtalate

• Molecular Interactions Study of Diisobutyl Ketone and 2-Alkanol by Density Measurements

• Study of Density and Excess Molar Volume of Orto Xylene and 2-Alkanol

• Measurement density of nanofluids containing MWCNT- OH decorated with soft metal (Au) in ethylene glycol

• Photocatalytic degradation of Auramine O using BiOI/BiOCl/BiOPO4nanoparticles under blue light irradiationandmodeling by artificalneural networks

• Effect of choline chloride / malonic acid deep eutectic solvent on the acetaminophen Solubility at T = (288.15 to 318.15) K

• Volumetricstudies of acetaminophen in aqueous solution of ChCl / malonic acid deep eutectic solventatT= (293.15to 318.15) K

• Thermodynamic study of salt effect on the Glutamine solubility in aqueous solution at T=(298.2 and 308.2)K

• Density and speed of sound of poly(ethylene glycol) dimethyl ether 250 and 500 in 1-propanol mixtures at different temperatures

• Soluting-In and Soluting-Out of Water-Soluble Polymers in Aqueous Carbohydrate Solutions Studied by Vapor Pressure Osmometry

• The role of the ionic liquid [C4C1im]Br as additive in the formation of the PEG-based ABS at T = 298.15 K: Effects of the PEG molecularweight and the salt

• Modellingphotocatalytic degradation of Azur (II) usingBiOI/BiOBr/BiPO4nanoparticles under blue light irradiation using diffusional neuralnetworks

• Pressure Dependence of the Viscosity of Three Polyalkylene Glycol Ether Lubricants

• Effect of the Temperature on the Viscosities of Three Polyalkylene Glycol Ether Lubricants

• Effect of water soluble polymerson the thermodynamic properties ofquaternary ammonium salt aqueous solutions

• Volumetric properties of acetaminophen in aqueous ionic liquid, 1-butyle-3-methylimidazolium bromide, solutions at different temperatures

• Volumetric studies of cefazolin sodium in aqueous ionic liquid, 1-octyl-3-methylimidazolium bromide at T= 298.15 K

• Thermodynamic study of electrolyte effect on the micellization of hexadecyltrimethyl ammonium bromidein aqueous solution at T=(298.2 and 308.2)K

• Partitioning of L-tryptophan inaqueous biphasic systemscomposed ofPEG 4000 and some biodegradable salts atT= 298.15 K

• Improvement of Celecoxib solubility using microemulsion systems

• The soluting-out effect in aqueous solutions of 1-butyl-3-methylimidazolium tetrafluoroborate and carbohydrates at various temperatures

• Speed of sound estimation for some ionic liquids from density and surface tension data

• Evaluating Second Order Thermodynamic Derivative Properties of Hydrocarbon Chain Series by Perturbed Chain-SAFT Equations of State

• Densities and Viscosities for Binary and Ternary Mixtures of Benzene + Cyclohexane and + N,N-Dimethyl acetamide at Temperature of 298.15 K

• On the Calculation of Fugacity Coefficient of Thorium Using van der Waals Model

• On the Evaluation of Dieterici Model Via The Study of Bulk Modulus and Tait-Marnagan Regularity of Associating Fluids

• Study of molecular interactions in binary mixtures containing 2-propanol, 1, 3- diaminopropane, and 2, 5- dimethoxytetrahydrofuran using macroscopic properties ofsolutions at 81.5 kPa and different temperatures

• Volumetric and Compressibility behavior of aqueous carbohydrate – polymer solutions at different temperature

• The solvent activity of binary mixtures 1-propanol +poly (ethylene glycol) dimethyl ether 250 and 500 at T = 298.15 K

• Isotherm and Kinetic Modeling of AdsorptionofAcridine Orange Using Eucalyptus-Wood Based Activated Carbon Modified with Maghemite Nanoparticles

• Elimination of methylene blue dye by nano clinoptilolite zeolitefrom aqueous solutions, kinetic and thermodynamic studies

• Bovine Serum Albumin interactions with new derivatives Schiff base study by spectroscopic techniques

• Study of interaction between ternary Cu(II) complexof Schiff base and bovine serum albumin by spectroscopic methods

• Effect of ionic strength on the formation of diethyl(1S, 2S)-3,3 dibenzoylcyclopropane-1,2 dicarboxylate:A kinetics and mechanism study

• Determination of solvatochromic parameter in binary mixtures of deep eutectic solvent with molecular solvents

• Calculation of Pseudo First-order rate constants, kobs, and Activation Parameters Containing ΔS#, ΔH# and Ea

• Determination of the Second Order Rate Constants, Activation Energy, Entropy and Enthalpy of Activation Changes

• Theoretical Study on the Kinetics of the Reactions Between 1,3,5-Trioxane with OH Radical

• Estimationand optimization of Kinetic Parameters for thermal decomposition of MDF by genetic algorithm

• Investigation of kinetic and surface adsorption of anionic dye on Layered double hydroxide/Nickel -Copper ferrite spinel magnetic nanocomposite

• Novel TiO2 NPs Loaded on Activated Carbon as a Green and High Efficient Absorbent : Synthesis, Characterization, Kinetic and Equilibrium Studies of the Adsorption of Bismarck Brown and Thymol Blue from Aaqueous Solutions

• TheoreticalStudy of tautomerism ofmethyl uracil in the gas phase

• A First-Principles Theoretical Study on Electrochemical Properties of Ni(II) N2O2 Schiff Base Complexes

• Application of a New Macrociclic-PVC Electrode to Potentiometric Studies of Cr(III) Ion and Its Computational studies

• Polythiophene supported MnO2 nanoparticles as nano-stabilizer for simultaneously electrostatically immobilization of D-amino acid oxidase and hemoglobin as efficient bionanocomposite in fabrication of dopamine bi-enzyme biosensor

• Electrochemical investigation of the corrosion behavior of mild steel in 0.5 M phosphoric acid solution by Metoprolol tablet as a green inhibitor

• Electrochemical oxidation of 2,5-diethoxy-4-morpholinoaniline in the presence of ptoluenesulfinic acid: Experimental and theoretical study

• Efficient Factors on ring cleavage rate of some 4-phenylurazole species in electrochemical oxidation process

• Investigation of Walden Rule for Sodium Glutamate in Aqueous Solutions of Glucose at 298.15 K

• Ion Pair Studies of Potassium Chloride in Mixed (Glucose-Water) Solvents at 298.15 K

• Studying of Electron Transfer Rate Constant of Cytochrome c Immobilized on Nanoparticle Decorated Hybrid System by Cyclic Voltammetry Technique

• Thermodynamic study of the (KCl + N,N-dimethylformamide + water) system based on potentiometric measurements at T=298.2K

• Fabrication of a coated graphite electrode for selective determination of magnesium

• Thermodynamic investigation of Sodium Nitrate in N N Dimethylformamide aqueous mixtures based on potentiometric measurements at T=298.2K

• Synthesis of TiO2 nanorods on the transparent conductive oxide substrates for photoelectrochemical Generation of H2

• Investigating the effect of graphite electrodes structures on the synthesized graphene using electrochemistry method

• Calcium measurement using ion selective electrode based on a macromolecule ionophore

• New Coated Graphite Potentiometric Sensor based on benzo-18-crown-6

• Iron (III) selective measurement based on kryptofix 5 as a carrier

• Preparation and characterization of drug-loaded poly(methyl methacrylate) nanoparticles by a microemulsion method

• Energetics of Ion Permeation Process through Mechanosensitive Channels of Large Conductance by Adaptive Biasing Force Method

• Atomic determinants for inducing β conformation in protein structure

• Dominat factors on the micellization of cationic urethane gemini surfactants in aqueous solution

• Bovine Serum Albumin interactions with Schiff base study by spectroscopic techniques

• Aqueous Solubility of Poorly Water-Soluble Drug Ibuprofen in Micellar Media: Effect of Head Groups Charge

• Inclusion Complex of β-CD-DZ as a nanocarrier: Preparation, Spectroscopic characterization, Thermodynamic parameters and molecular modelling Study

• Biophysical Studies on the Interaction of Cationic Urethane Gemini Surfactant with Insulin

• Spectroscopic Studies on the Interaction Between Etofylline and Human Serum Albumin

• Investigation of Interaction of New Platinum Complexes Containing Phosphine Ligand with DNA

• Destabilization of glucose oxidase by increasing concentration of ionic liquid: Insight from molecular dynamics simulation

• Fluorescence study on the interaction between Nickel (II) Complex [Ni(bin)2OAC] and bovine serum albumin

• Lipase Immobilization on Metal-Organic Framework and Evaluation of Initial Enzyme Concentration Effect

• Thymine and Its Derivatives: A Computational Study

• Investigation of Candida Rugosa Lipase Immobilization on the Modified Graphene Oxide

• Mechanistic Characters of Ion Permeation through Mechanosensitive Channels of Large Conductance: A Steered Molecular Dynamics Study

• A theoretical study of gas adsorption on Boron nitride Nanocone induced with Zn-porphyrin

• Error Analysis and Kinetic Aspect of Doxycycline Adsorption onto Graphene nanosheet

• Selective Hydrogenation of Benzene to Cyclohexane on Various Ni- Supported Catalysts

• Kinetics Study of Selective Hydrogenation in Aromatics Mixture over Ni-W Composite Catalysts

• Synthesis of n-type and p-type CuInS2 thin films via simple SILAR method

• Effect of lithium doping in electron injection layer on the LED performance in reverse structure

• Study of the effects of acidic after treatment on the gamma alumina powder properties

• Investigation of hydrogen adsorption & storage on G-C3N4: fuel cell application

• Determination of hydrogen storage capacity of MOF (Zn5): Fuel cell application

• Selective Catalytic Oxidation of O-xylene to Phthalic Anhydride over VPO/HZSM-5: An Optimization Study

• Investigation of 4-chlorophenol degradation over a new designed Pt/γ-Al2O3 nanocatalyst synthesized by microemulsion method

• How can Pt-free catalysts act as an efficient catalyst

• Vanadium phosphorus oxide composite as an efficient catalyst for hydrocarbon oxidations using tert-Butyl hydroperoxide

• A highly efficient oxidation of cyclohexane over VPO catalysts using tert-Butyl hydroperoxide

• Kinetic Studies of DMSO Deuteration Process and Introduction of an Ideal Isotopic Exchange Reactor Type

• Using Electrolysis for Accurate Measurement of Oxygen Isotopes Abundance in 18O enriched Water

• The evaluation of electrochemical and physical properties of cationic membranes in the electro-dialysis reversal system of the Imam Khomeini Petrochemical Complex