The 21st Chemical Physics Conference of Iran Chemistry Association, شهریور ماه ۱۳۹۷

Accepted papers in The 21st Chemical Physics Conference of Iran Chemistry Association

• Ultrasound and Electrochemistry in Synthesis of New Thin Films: VisibleLight Photocatalytic Activities

• Prediction of carbon dioxide hydrate formation conditions in the presence of cyclopentane using the CPA equation of state

• Molecular Mechanism of Insulin Fibrillation in the Presence of a Cationic Gemini Surfactant: Spectroscopic and Conductometric Studies

• Monitoring of Protein- protein interactions in cell death using split luciferase assay: a thermodynamic perspective

• An Investigation on the Entropy Relation in Experimental Sciences: A Quranic Perspective

• Atomic Scale Molecular Dynamics Simulation of Glycine Receptor in a Mixed Lipid Bilayer

• Ion Separation and Molecular Sieve Process Using Functionalized Nanostructured Membranes

• Soluting-out/in Effects in Aqueous Ionic Liquid +Polymer Solutions

• Predicting flammability limits via constancy of limit adiabatic flame temperature and limit expansion ratio

• The Use of Glycols as Solvents for Desulfurization of Fuels

• Thermophysical Properties Study for the Binary Mixtures of (Acetonitrile+ Trichloroethylene, or Tetrachloroethylene) at Different Temperature

• Giant Onsite Electronic Entropy Enhances the Performance of Ceria for Water Splitting

• Computational Medicinal Chemistry for Drug Design and Discovery

• Influence of Cu, Zn, Ni and Fe Sulphate Adsorption on Structural, Electronic and Optical Properties of B12N12 Nanocage

• Investigation on the Simultaneous Reduction and Carburization of Mixture Powder of Tungsten and Nickel Oxides by Pure CO: II=DTA and the Effect of C Precipitation

• Investigation of Vapor – Liquid Equilibrium, Volumetric, Compressibility and Transport Properties of Some Aqueous Saccharides in Presence of Ionic Liquids

• Structure and Vibrational Analysis of Zinc (II) Heptane-3,5-Dione

• Theoretical study of Structure and Electronic Properties of Adamantane and its Ge-doped structures

• MOLECULAR RECOGNITION OF N-OCTYL-α /β - GLUCOPYRANOSIDE WITH GLYSINE

• Design and Characterization of Efficient Semiconductor for Use in Organic Field Effect Transistors

• Theoretical predict the electrochemical oxidation behaviour of some para diamine species using results of the electrochemical oxidation of 4- aminodiphenylamine

• Electrocatalytic activity of sulfonated graphene oxide/conductive polymer nanocomposite film: Electrochemical and theoretical study

• Electromotive force in non-collinear magnetic structures

• The Study of Distortion of High Symmetry Configurations of Si2F4(2+), Si2F4 and Si2F4(2-)2-

• Removal of Methyl Violet from Aqueous Solutions Using Algae/ Fe3O4 Magnetic Composite

• The Effect of Sodium Dodecyl Sulfate on the Properties of Magnetic Graphene Nanocomposites

• Study of new generation batteries

• Quantum transport

• Efficient Organic Light-Emitting Diodes from Delayed Fluorescence

• Simulation Of Carbon Nano Tubes Capacitor With Boron Nitride Dielectric

• Stereochemical Aspects of the Soluting-out Capability of Carbohydrates

• Volumetric studies of acetaminophen in aqueous solution of ChCl / ethylene glycol deep eutectic solvent at T= (288.15to 318.15) K

• Molecular Dynamic Simulation of α-synuclein Aggregation and Investigation of it,s Effective Factors

• The Interaction of CO Gas Molecules with TiO2/WSe2 Nanocomposites: Towards Superior Gas Sensors

• Density Functional Theory Study of the Interactions between Triatomic Gas Molecules and Faceted TiO2 Anatase Nanostructures

• The theoretical study of nitrate ion adsorption on the surface of the pristine and N-doped beryllium oxide nanotube

• The NBO, RDG and Quantum Study of Interaction of Mercaptopyridine Molecule with Be12O12

• BN Substituted Non-Classical Fullerenes

• Molecular Interactions in [PhMT][X] Ionic Liquid: Structures, Binding Energies and Topological Properties

• Computational Study on the Synthesis of 3,5- Disubstituted Isoxazoles from Nitrile Oxide and Therminal Acetylenes

• Intermolecular Interactions between Gold Clusters And Sugar-Based Surfactant: A Dft Study

• Effect of B, Al and Ga Impurities on Structural, Electrical and Optical Properties of BeO Nanotube

• The Strain Effect on Electronic Structure of Phosphorene

• Adsorption of NH2NO2 molecule on the surface of pristine and Pt functionalized (6, 0) zigzag GaNNTs: A NMR study

• Electronic and optic properties of Ni functionalized Gallium nitride nanotube upon NH2NO2 molecular adsorption :A first principle study

• The Electrical and Structural Study of Adsorption Cd+2 on the Surface of Pristine and C&P-Doped BNNTs

• The Effects of Cadmium Ion Adsorption on the HOMO-LUMO, NMR, ESP, and NBO Parameters of Pristine and Doped Boron Nitride Nano Plate: By DFT

• Production of Fresh Water by Means of Humidification and Dehumidification of Air Using Solar Energy

• DFT Study of the Structural Properties of Various Stacked Bilayer Graphdiyne and HCN Adsorption

• Investigation of Thermodynamics Properties of the Complex Crown Ether-Containing N -Salicylidene Aniline Derivatives with Zn: A DFT Study

• Investigation of Vibrational Frequency of Crown Ether-Containing N -Salicylidene Aniline Derivatives

• The Analysis of the Electronic Structure of Linear and Cyclic Strcutures of GLY-PRO-PRO Trimer

• The Effect of GLY to SER Mutation on the Interaction of Hexa-Cyclio Peptides with Water: A Molecular Dynamics Simulation Study

• Density Functional Study of Inhibitor Effect of Benzoxazepin Derivatives on Phosphoinositide-3-Kinase Delta (PIK3δ)

• Ion Distribution in an Isolated Charged Nano Spherical Cavity: A DFT Study

• Thermodynamic Properties Study for the Binary Mixtures of Acetonitryle+ Dichloroethane, Trichlorethan at Temperature Range of 293.15-303.15 K: Experimental Results and Application of the Prigogine–Flory–Patterson Theory

• Isopiestic Determination of Water Activity and Vapor Pressure for Binary (choline bi-tartrate + water) and Ternary (choline bi-tartrate + diphenhydramine + water) Solutions at 298.15 K

• Effect of Cholinium Bi-Tartrate as a Biocompatible Salt on the Volumetric, Acoustic and Viscometric Properties of Aqueous Diphenhydramine Solutions

• Theoretical Predict the Electrochemical Oxidation Behaviour of Some Para Diamine Species Using Results of the Electrochemical Oxidation of 4-Aminodiphenylamine

• Electrochemical Oxidation a Series of Ortho Diamines and Predict of Thermodynamic and Kinetic Results Using Density Functional Theory (DFT)

• Interaction of Glycine with BC2N Nanotubes: Dative Covalent and Hydrogen Bonding

• Investigation of Some Inhibitors of Alzheimer Associated Amyloid Beta Aggregation by Quantum Optimization and Molecular Docking Simulation

• Quantum Mechanical Study of Interaction between Phenolic Compounds as Inhibitor with Active Site of Human Carbonic Aanhydrase (II) Enzyme

• Jahn-Teller effect study of structural deformetion of OF2,OCl2 , OBr2, OI2

• Investigation of 5,5′-(Pyridine- 2,6-diyl)bis(4-phenyl-4H-1,2,4-triazole-3-thiol) as corrosion inhibitors for mild steel in acidic media

• Investigation and Conformational Analysis of Trans-2,3-difluoro-1,4-dioxane

• A Simple Hydrogen Peroxide Biosensor Based on a Novel Electro Magnetic Polymer@Fe3O4 Nanocomposite

• External Field Effect on Graphene-like Molecular Nanoelectronic System

• QSPR Study of the Complex Formation Constants between β-cyclodextrin and Some Organic Compounds

• Computational Analysis on all Di-Fluorobenzenethiol: a DFT-B3LYP Study

• A DFT Study on all Mono-Fluorobenzenethiol

• Interaction between CO2 and Organic-Metal Frameworks

• Interaction of CO2 with Metal Trap MIL-47 (V)

• Calculation of Proton and Electron Affinities Gas Phase Basicities and Ionization Energies of Barbituric acid

• DFT and G4MP2 calculation of proton and electron affinities gas phase basicities and ionization ener gies of sulfinamides

• The study of the salvation of paclitaxel in ionic liquids in the presence of biocompatible nano-particles using the molecular dynaimic simulation

• QM Study on the Mechanism of Carbonic Anhydrase XII Inhibition with Glycosyl Coumarin as Non-Zinc Mediated Inhibitors

• Cycloaddition Reaction of Azides with Di-Alkynes: a Quantum Chemistry Study

• The Biophysical Chemistry Studies of the Structure Chloroperoxidase in Present of Ionic Liquids; Molecular Dynamics Simulation Approach

• Determination of Proton Transfer and the Corresponding Structures of 2,3- Diamino Pyridine with Benzoeic Acid Using Combined Experimental and Theoretical Approaches

• Theoretical Study of Interactions between Drugs and Zeolitic Imidazolate Frameworks

• Simulation Studies of Anti Cancer Drugs Adsorption on Zeolitic Imidazolate Frameworks

• Theoretical Study of Some Elimination and Addition Reactions Using Density Functional Theory

• A Theoretical Study on Silicene Sheet Doped with N, B and F Atoms

• Effect of Electric Field on Defected Silicene Sheet: DFT Study

• Inter/Intramolecular Hydrogen Bond Strength in {N-[(3-BOROMO) PHENYL]-5 Methylisoxazole 4-Carboxamide}: DFT and AIM Calculations

• Study of the Effects of Alcohols as Co-Solvents on the Interaction of Drugs with Carbon Dioxide in Supercritical Conditions by Molecular Dynamics

• Co-Solvent Effects on Self-Diffusion Coefficient of Drugs in Supercritical Carbon Dioxide: a Molecular Dynamics Viewpoint

• Vibrational Assignment and Structure of Some Derivatives of Chloro-Salysilideneanilin

• A QTAIM Study of Intramolecular Hydrogen Bond of Chloro-Salysilideneanilin Derivatives

• A Density Functional Theory Study on all Di-Bromophenol

• A Computational Study of all mono-bromophenol

• Absorption of Ethane on 3-Time Al-Doped Boron Nitride Nanotubes

• Absorption of decomposed ethane on two-time Al-doped boron nitride nanotubes

• Density Functional Theory (DFT) Studies of the adsorption of NO and CO on Mo-doped WSe2 Monolayer

• Effects of Al and Ga doping of B12N12 nanocage on sensitivity and adsorption of amantadine drug in gas phase and water media

• A computational study of aniline adsorption on pure and doped surfaces of B40 borospherene

• Computational Study of Thermochemistry of Triazolium-Based Dicationic Ionic Liquids

• Predicting Enthalpies of Formation of Geminal Dicationic Ionic Liquids Using High Level Quantum Chemistry Calculations

• Theoretical Investigations of some New Azo Dyes

• The Effect of a Co(II) Ion on the Electronic Properties of some New Salophen Type Ligands by Theoretical Study

• A DFT Study of Hydroxyurea Adsorption on the BNNT-Ga and BNNT-Ge Nanotubes

• Local Magnetic Field Induced by Circular Motion of Ions and Molecules in a Nanotorus under Gigahertz Rotating Electric Fields

• Modelling of Density of Organic Compounds Using QSPR Approach

• A new GA-ANN model for density prediction of organic compounds

• Molecular Dynamics Simulation of Natural Gas Sweetening Using the Ionic liquids Based on 1-Hexyl-3-Methyl Imidazolium

• A DFT Theoretical Study on the Structure Stability and Electronic Properties of Pristine and Al-doped B80 Buckyball as a Potentially Suitable Candidate for HCN Sensor

• Design of a Bio-Compatible Drug Delivery System Based on Gold Nanoparticles for RNA Aptamer as an Anti HIV-1 Drug: Molecular DynamicsSimulation

• A Periodic Density Functional Theory Investigation of Interaction of Photoactive 5-Amino Tetrazol with TiO2 Anatase (101) Surface

• Calculation of Proton and Electron Affinity, Gas Phase Basicity and Ionization En ergy of N-Aminophethalimide

• Study of Carbon Dioxide, Methane and Nitrogen Adsorption on NUM-3a Using the Monte Carlo Simulation Method

• Molecular simulations of adsorption and separation of hydrogen sulphide and methane on NUM-3a

• Theoretical Study of Cation-Anion Interactions in Ammonium-Based Ionic Liquids: The Effect of Functionalization and Alkyl Chain Length

• Investigation of pure and Al-doped boron nitride nanotubes as an adsorption candidate for CH4 molecule

• Photoswitching in 9-Hydroxybenzo[4,5]Thieno [3,2-b]Pyridine5-5-Dioxide: a Quantum Chemical Approach

• Novel Delivery System for Novel Therapeutic Agent: Molecular Dynamics Simulation of Interaction of Non-Coding RNA Aptamer with Boron-Nitride Nanotube

• Novel Aptamer Immobilization on Boron-Nitride Nanotube: Molecular Dynamics Study of Novel Drug Delivery System

• Study of γ-AA Peptide Conformations in Solution Using Molecular Dynamics Simulation

• Quantum Capacitance of Sc-doped CNTs as Supercapacitor Electrodes: a DFT Study

• Monte Carlo Simulation of Deep Eutectic Solvents Based on Choline Chloride and Phenyl propionic Acids

• Theoretical Investigation of the Sensing of CH2O Molecule Using Pristine, B and Ga Doped AlN Nanosheets

• Hydrogen bonding interactions on 3-Nitro Benzoeic Acid based crystals: Featuring experimental and theoretical analysis

• A TD- DFT Study: The Origin of Instability of Planar Structures of ClNO+ and ClNO

• Theoretical Investigation of the Sensing of Fluorouracil Using Graphene Nano-Oxide

• Comparing the reactivity of SO2-amine and CO2-amine compounds

• Comparison of SO2 and CO2 absorption by diamines

• A Computational Theoretical Study of the Stability of Distorted Structures in Multi-Mode Problem

• Pseudo Jahn-Teller Origin of Instability of Planar Configuration in C2H4 Radical Anion: JT Vibronic Coupling

• Two Carbon-Doped BN Nanosheet as Metal-Free Electrocatalysts for the Oxygen Reduction Reaction

• Molecular Insights into Tumor Marker Detection via Aptasensor Screening

• Theoretical Study of the Three Dimensional Potential Energy Surface of Valine

• Prediction of Electrical Conductivity of Poly(3,4-ethylenedioxythiophene) in Gas-phase at the Temperature Range of 50-400 °K

• Density Functional Study of New Synthesized 1,2,3-triazole Compounds: Vibrational Frequencies and NMR Properties

• First Principle Studies of Acidities of Some Amino Acids and Dipeptides

• The Electronic Structure and Spectra Ru(bpy)2/3(+) of Using the Time Dependent Density Functional Theory Computations

• Interactions of Curcumin with Parkinson s Disease Agent Protein: Molecular Dynamics Simulation

• Theoretical Study on the Biodegradable Aliphatic Choline Based Naphthenic Acid Ionic Liquids

• A Quantum Chmistry Study on Structures and Interactions of Biodegradable Aromatic CBNILS

• Investigation of Some Nano Structures as an Absorbent for Sarin: A DFT Study

• Investigation of Graphene as an absorbent for some gases: A DFT Study

• Formation of NxO(x=1,2) in the gas phase. Theoretical study of methylenimine and Nitroxyl reaction

• Modeling of NaF in (glucose/sucrose + water) Mixture; Binary and Ternary Mixing Ion-Nonelectrolyte Interaction Parameters

• Adsorption Isotherm Studies of Cd (II) Ions from Aqueous Solution Using Nanoscale Zero-Valent Iron Supported onto Zeolite

• Determination and Modeling of Activity Coefficients of Sodium Bromide in (Water +N,N dimethylformamide) Mixed Solvent System at 298.2 K

• Extraction of Carboxylic Acids from Aqueous Solutions by Esters

• Excess Volume and Isentropic Compressibility of Binary Mixtures of Diethanolamine or Triethanolamine with Aniline from (303.15 to 318.15) K

• Graphene Quantum Dot doping with B3- F3- N3 and H6: DFT Study

• H2O Reaction Over Defective Graphene Quantum Dot Doping with B3 - N3 and H6: A Comparative DFT Study

• Intermolecular hydrogen bond in [ 2-(2-methyl-1H-indol-3-yl)acetic acid] dimer, DFT and NBO studies

• Vapor-liquid equilibrium (VLE) for binary mixtures of 1-Propanol + Poly (Propylene Glycol) 400, 725 and 1025

• Measurements of Density and Speed of Sound for Nonaqueous Solutions of Ionic Liquid, 1-Ethyl-3-Methylimidazolium Ethyl Sulfate in Dilute Region at Various Temperatures

• EPC-SAFT Modelling of Density for Aqueous Ionic Liduids [RMIM] SCN Solutions

• Effect of Lithium Bromide Salt on Thermodynamic Properties of Aqueous and Non-aqueous Solutions of 1-Butyl-3-Methylimidazolium Thiocyanate

• Study of Volumetric and Electromagnetic Properties of Binary and Ternary Mixtures of {2-propanol (1) + 1, 3-diaminopropane (2) + 2, 5- dimethoxytetrahydrofuran(3) } at (298.15-328.15) K at 81.5 kPa-Prediction with Geometrical Models

• Nonextensive Statistical Mechanics and its Effect on the Electronegative Plasma Sheath Characteristics

• Thermo-acoustical and Taste Behavior Studies on Interionic Interactions of Lhistidine in Aqueous Maltose Solutions at Varying Mass Percentages and Different Temperatures

• Excess Molar Enthalpies of Binary Mixtures Containing Butyl Acetate (1) + 1- Alkanols (C1-C6) (2) and Their Correlations at 298.15 K

• Densities and Derived Thermodynamic Properties Study for the Binary Mixtures of (1,2-Propandiol + Ethyl methyl ketone, or N,NDimethylbenzylamine) at Different Temperature

• Floating Potential of Electrodes Results from Nonextensive Statistical Mechanics

• Ion Distribution in an Isolated Charged NanoSpherical Cavity: A DFT Study

• Investigation of the Corrosion Resistance of Ni-W/PTFE Nanocomposite Coatings in 3.5wt.% NaCl Solution

• Synthesis of Modified Nickel-Cobalt Electrodes on Reduced Graphene Oxide and its Characterization by Scanning Electron Mmicroscopy and Voltammetric Techniques

• The Performance of Polymer Binders in Lithium Ion Batteries

• Optimization of Dispersing of SiC Particles in Aqueous Electrolytes Using Surfactants for the Application in Composite Coatings

• Synthesis of Superparamagnetic Graphene-Iron Oxide Nanocomposites by Electrochemical Exfoliation Method

• Characterization and Corrosion Resistance of Electrodeposited Ni–Mo–Coating on Stainless Steel Substrates with an Alkaline Electrolytic Bath

• Interaction Different Anticancer Drugs with Nano Particle Au: A Theoretical Study

• Study of ortho-Phenylene Foldamers using Molecular Dynamics Simulation

• Theoretical Study of Some Dield-Alder Reactions Using Density Functional Theory

• Investigation of Acetaldehyde interaction on the zigzag (6,0) boron nitride nanotubes; DFT

• Synthesis, FT-IR Spectra and DFT calculations of indazolo phthalazinetrione derivatives

• Nature of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study

• Study on the Adsorption the Argon and krypton by the C20 Fullerene, the Graphene Sheets, and the N4B4 Cluster Using DFT Calculations

• Effect of cathode materials on morphology and quality of electrodeposited magnetic graphene nanocomposite

• Theoretical Study of Geometries and Energetics of Adsorption of Benzyl Alcohol, Benzaldehyde and Benzoic Acid on CdS and CdSe Nanostructures

• The Effect of Side-Chain Polarity and Solvation Layers on the Interaction of Amino Acids with ZnS Surface: Adsorption Free Energies from Molecular Dynamics Simulations

• Monte Carlo Simulation and Quantum Calculation in Prediction the Properties of Single Carbon Nanotubes (SWNTs) with Mitotane

• An Experimental and Theoretical Study on The S-doped g-C3N4 Nanosheets

• Synthesis Nitrogen-Containing Heterocyclic Compoundsand the Investigation of Single-Walled Carbon Nanotubes (SWNTs) Using Molecular Mechanic and Monte Carlo Simulation

• Cd (II) removal from aqueous solution using Nanocomposite

• Phototautomerization in 9-hydroxy-5H-indeno[1,2-b]pyridin-5-one a Quantum Chemical Approach

• Investigation of structural properties and density of states of the cubic phase of Sr2NiWO6

• Interaction of Boron Clusters with Aantisite Defective BNNTs: A DFT Study

• Tautomerism, molecular structure, intramolecular hydrogen bond of α- methyl and ethyl substituted Acetylacetone; A theoretical study

• A Density-Functional Study of Adsorption of H, and CO, on Li-Doped Single-Walled (8,0) Boron Nitride Nanotubes Containing Stone-Wales (SW) Defect

• The Interaction of Pyrazinamide Molecule with B12P12 Nano Cluster: by Computational Approach

• Interaction of Fluoride Ion with Aluminum Nitride Nanotubes: A DFT Study

• New Derived Perturbation‒Theory‒Based Regularity Using Yukawa Potential

• Experimental, DFT Study and Molecular Dynamics Simulation of the Structural and Thermodynamic Properties of the Binary Mixtures of Morpholine and Isobutanol

• Geometry Optimization and Electronic Structure of Trigeminal Tricationic Ionic Liquids: A Density Functional Theory Study

• Thermodynamics Behavior of Transmembrane Protein

• Theoretical Investigation of the Defect Position Effect on Optical Functionality of N and B Doped Graphene

• Theoretical Investigation of the Defect Position Effect on the Aromaticity of N and B Doped Graphene

• The Structure and Quantum-Mechanical Framework for a Series of Hydroxamic Acid Derivatives as Strong Inhibitors Against Anthrax Lethal Factor

• Theoretical Investigation of the Ring Flipping and Conformational Properties of 2-Methoxy-2-Oxo-1,3,2-Dioxaphosphorinane and its Analogous Containing S and Se Atoms

• A Comparative Study of Thiocyanate Anion (SCN-) Adsorption on the Al12N12, Al12P12, Nano-Cages

• The Adsorption Investigation of Benzene and Toluene Molecules on Pure and M-doped (M= Zn, Cu, Ni, Co) Cadmium Oxide Nanosheets

• The Adsorption Study of Ethyl Benzene and Xylene Isomers on Pure and Doped Cadmium Oxide Nanosheets by DFT

• Ultrafast Luminescence Decay and Intersystem Crossings in rhenium (I) complexes: DFT Method

• A Theoretical Study of Interaction Tyrosine with Al12N12 Nanocage

• DFT Study on the electronic and nonlinear optical characteristics of clososupercarboranes C2Bn-2Hn (n= 13-20)

• The Quantum and Reduced Density Gradient Investigation of Drug Adsorption on the Surface AlN Nanocluster

• The Theoretical Study of Interaction CO Gas with Pristine and As&N doped AlNNTs

• Study of Methane Adsorption on Nanoporous Carbon Model by GCMC

• A Theoretical Study of Adsorption Behavior of Nitroamide Molecule on the Surface of Pristine and Pt Functionalized(6, 0) Zigzag GaNNTs

• The NMR Parameters of the C-Doped BN Nanotubes: A DFT Study

• Protonation states of the active site glutamates of β-galactosidase; a molecular dynamics study

• Density, Speed of Sound, Isentropic Compressibility, and Excess Volume of Binary Mixtures of 1-propanol or 1-butanol with N-methylcyclohexylamine from (298.15 to 318.15) K

• Removing of Some Errors for Measuring the Specific Latent Heat of Vaporization of Water in the Lab

• Study of Solvent Effect on the Thermodynamic Properties of 2-Halo tetrahydro-pyran and Analogs Containing F, Cl, Br Atoms Using NBO Analysis and Ab Initio

• Thermodynamical and Structural Properties of Imidazolium Based Ionic Liquids

• The Study of Vapor-Liquid Equilibrium of Binary System of Tert-Butylamine – Water and Its Thermodynamic Analysis at 84.2 kPa Pressure

• The Measurements of Acid Dissociation Constant and Thermodynamic Properties of Betanin in aqueous solution at different Temperatures

• The Theoretical Calculations of Acid Dissociation Constant and Thermodynamic Properties of Glaysyl Aspartic Acid in aqueous solution at different Temperatures

• Determination of Activity Coefficients of Major Ions in Caspian Sea Water

• Investigation of ZIF-derived Fe-N co-doped Carbon in Metal−Organic Frameworks

• Thermodynamic Studies on the Phase Equilibria of Ternary {choline chloride + Glucose + water} Systems at 298.15 K

• Vapor-liquid and liquid-liquid equilibrium for aqueous solutions containing of Choline-based Deep Eutectic Solvent and PPG400 at 298.15 K

• 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

• 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

• Study of Aqueous Biphasic sSystems Composed of Biocompatible Cholinium Aminoate Ionic Liquids as Novel Extractants and Polyethylene Glycol Di-Methyl Ether for Separation of Bovine Serum Albumin (BSA)

• Study of Interactions between Cholinium L-alaninate as a Green Entrianer and Bovine Serum aAlbumin in Water Medium by Measuring of VolumetricProperties and UV-Visible Spectra

• Solubility of Galactose in Aqueous Ionic Liquids, 1-Butyl-3-Methyl Imidazolium Bromide, 1-Hexyl-3-Methyl Imidazolium Bromide and 1-Butyl-3-Methylimidazolium Chloride at T = (298.15 and 308.15) K: Measurement and Modeling

• Liquid – Liquid Equilibrium Study of Benzene Extraction with Nformylmorpholine from Aliphatic Mixture at T = (303.15 – 343.15) K and Atmospheric Pressure

• Liquid-Liquid Equilibria for the Aqueous Mixture of C5 Carboxylic Acid and Esteric Solvent at T = (298.15, 308.15, and 318.15) K

• Thermodynamic Study of Temperature and Dimethyl Formamide on the Micellization of Hexadecyltrimethylammonium Bromide

• Densities and Derived Thermodynamic Properties Study for the Binary Mixture of (Dibutylamine+Ethylene glycol monomethyl ether) at Different Temperature

• High power Vanadium redox flow battery based on Bismuth-tungsten oxide modified carbon felt negative electrode

• The effect of carboxylated multiwall carbon nanotubes on the performance of camphor sulfonic acid doped polyaniline –WO3 nanocomposite as photoanode for solar photo electrochemical water splitting

• Valeriana officinalis root extract as a green corrosion inhibitor for carbon steel in 1.0 M hydrochloric acid solution

• Use of Equisetum arvense extract as a novel green corrosion inhibitor for low carbon steel in 0.5M H2SO4

• A High Surface Area Ni–Fe Layered Double Hydroxide for Electrocatalytic Water Oxidation Reaction

• Investigate of the Electrochemical Behavior and Measurement of Promethazine Hydrochloride Using Carbon Nanoparticles Modified with Nickel Oxide Nanoparticles

• Investigation of Electrocatalytic Behavior of Ni- M (M = Pd, and Ir) nanoparticles supported on vulcan carbon (XC-72R) as oxygen reduction reaction catalysts

• Studying of Electron Transfer Kinetics of Azurin Immobilized on New Phenolic Terminated Self Assembled Monolayer by Scanning Electrochemical Microscopy

• Vapor Pressures and Isopiestic Molalities of the Ternary LiNO3+Urea + H2O System at 298.15 K

• A Novel Voltammetry Sensor Based on Ni-Co Multilayer Nanowire Modified Carbon Past Electrode for Determination of Valganiclovir, an Antiviral Drug, in Human Plasma and Tablet Formulation

• Activity Coefficient Determination of the Ternary System: NH4NO3+ Fructose+ H2O by Potentiometric Method

• Determination and Thermodynamic Modeling of the Ternary ([BMIm]Br + LiBr + H2O) System at T=298.2 and 308.2K

• Electrocatalytic Oxidation of Methanol Employing Ni-Al LDH Nanoparticles Decorated polymer Film on a Glassy Carbon Electrode

• Polymer Thin Films Embedded with Nickel-Copper Nanoparticles for Electrocatalytic Water Oxidation

• Comparison of cathode behavior of lithium and sodium batteries and properties related to voltage and density

• poly(aniline-co-p-phenylenediamine)- Ag /platinum-modified pencil graphite electrode for the electorocatalytic oxidation of methanol

• Investigating the influence of copper (I) thiocyanate as a hole transport layer in efficiency of methylammonium lead iodide perovskite solar cells

• The effect of strontium doping on the performance of organic-inorganic lead based perovskite solar cell

• Evaluation of Polymer Nano Pigments Performance as Corrosion Inhibitor

• Preparation and Kinetic Study of CoFe2O4@silica@ROL Nanobiocatalyst

• Ultrasound-assisted extraction of anthocyanins from red onion skin, and determination antioxidant activities in red onion

• Observation of Solvatochromic Fluorescent in Environmental Friendly Carbon Dots Prepared by Hydrothermal Treatment

• Works of Various Types of Chemical Hair on the Scalp and Hair

• Facile synthesis of g-C3N4 nanosheets anchored with AgCl and CDs and its efficient activity in reduction of Cr(VI)

• Mechanistic and kinetic study on the reaction of hydrazine with hydroxyl radical

• Theoretical study on the gas phase rate constants of NO+ HO2 reaction

• Integration of narrow band gap semiconductors with TiO2: Enhanced photocatalytic activity for removal of various pollutants under visible light

• Surveying the Adhesive Interaction on the Laminated Particleboard

• Investigation of Reaction between Epoxy and 4-Phenyl 1-2, 6-Bis (4- Aminophenyl) Pyridine by Using FTIR and DSC Tools

• Molecular Dynamics Simulation of the Inhibition of HIV-1 Protease by RNA Aptamer: Effect of Mutation

• Study of Differences and Similarities between Polymeric and Ionic Liquid Aqueous Solutions in Respect to Salt Effect and Liquid – Liquid Equilibrium

• Measurement and Modeling the Volumetric Properties of Aqueous Solutions of Guaifenesin Drug in the Presence of NaCl

• Effect of KCl on Volumetric Properties of Aqueous Solutions of Guaifenesin Drug

• Preferential Solvation of Sunitinib Malate in Binary Mixtures of DMSO + Water at 298.15 K

• Solvatochromic and Preferential Solvation of Sunitinib Maleate s in some Water-Alcoholic Mixed Solvents

• Evaluation of UNIFAC Model in Predicting of Naproxen Solubility in Some Aqueous Solutions of Choline Chloride Based Deep Eutectic Solvent

• Ionic Association and Solvation of the Tetrapropyl Ammonium Bromide in Molecular Solvents

• Optimization of the Process Parameters in the Preparation of Molybdenum Disulfide Nanopowder Using the Taguchi Method

• Corrosion study of Ni-W/PTFE nanocomposite coatings in 1N Sulfuric acid medium

• Effect of Solution pH on Magnetization of Graphene/Cobalt Nanocomposite Synthesized via Electrodeposition/Exfoliation Technique

• Prediction of Thermophysical Properties of Ionic Liquids (ILs) by Implementation of Hole Theory

• Numerical Study of the Influence of Geometric Factors on Heat Transfer Using Water-Al2O3 Nanofluid in Microchannels

• Ag Nanoparticles Loaded on Porous Graphitic Carbon Nitride Nanosheets with Enhanced Photocatalytic Activity for Degradation of an Azo dye, RB5Under Visible Ight Irradiation

• The Study of Stability and Volumetric Properties for ZrO2 Nanoparticles Dispersed in Polypropylene Glycol (PPG) and Aqueous solutions of PPG

• Preparation of Scarlet GN –Zn–Al layered double hydroxide nanohybrid and study its optical properties

• Magnetic and Toxicity Investigations of Omega-3/Cobalt Ferrite Nanoparticles

• ZnO Nanoparticles Assisted for CO2 Gas Sensing; Prepared by Solvothermal and Sonochemical Methods

• The Use of Graphene Quantum Dot Nanocatalysts with Acidic Functional Groups to Synthesize Xanthene Derivatives under Microwave Radiation conditions

• Synthesize of Zirconium Silicate Nanofibers by Aid of Alectrospinning Technique

• Nanoemulsions; preparation, characterization and applications

• The Fabrication of Cobalt- Molybdenum Nanowire Alloy in Alumina Template

• Modification of Zn-Al Layered Double Hydroxide with a Anionic Food Dyes and Its Adsorption Behavior for Cd from Aqueous Solution

• The Study of Graphene Dispersion by Aid of Cationic Surfactants in Aqueous Media

• Investigation of Adsorption of Arsenic (V) Ions from Aqueous Solution Using Natural Clay/Fe-Mn Composite

• Fast Adsorption of Chromium (VI) Ion from Synthetic Sewage Using Bentonite/ Bio-coal Composite

• La1-xZnxMnO3 (x = 0 to 0.6) perovskite catalysts used in plasma-catalytic oxidation of volatile organic compounds

• Application of plasma technology with different voltage in the removal of BTX using treated used battery powder as nano-catalyst

• Optimization of Biodiesel Synthesis from Solid Wastes of Oil-refining Factories

• Supply of steam saturated superheated steam

• Thermodynamic modeling of pharmaceutical substance solubility: A review of various models

• Thermodynamic and Kinetic Effects of Methanol in the Formation of Tetrahydrofuran Hydrate