هجدهمین همایش شیمی فیزیک ایران، اسفند ماه ۱۳۹۴

مقالات پذیرش شده در هجدهمین همایش شیمی فیزیک ایران

• Density and speed of sound of binary mixtures of ionic liquid with DMF andNMF at different temperature: measurements and PC-SAFT modeling

• On the Evaluation of van der Waals and Dieterici Models Using the Calculation of Virial Coefficients of Refrigerants

• Challenge of Density-Functional Theory in Simulating Resonance Raman Spectra Using Excited State Gradients

• Hydrogen Bonding Motifs in the Conformational Space of a Hydroxy-Bisphosphonate Moiety

• New Generation of Carbon Nanotubes: Graphdiyne Nanotubes

• Geometrical and Electronic Investigations of a New Synthesized Copper (I) complex Using DFT Calculations

• A Theoretical Investigation on the Kinetics and Dynamics of the Reaction of CH2OH with OH Radical: Featuring a Barrierless Entrance Channel

• Crossover Carnhan starling equation of state

• Mechanistic insight into homogeneous catalytic reactions by ESI-MS: Pdcatalyzed cross-coupling reactions

• Chemical Characterization of Plasma Medium by Optical Emission Spectroscopy

• Dopant concentration effects on Mn-doped ZnO thin films

• STRUCTURAL AND SOLVATOCHROMIC PROPERTIES OF SOME AZOQUINOLINE DYES

• Use the metal-organic framework (MOF) as the catalyst for the oxygen reduction reaction (ORR) in alkaline media

• Deactivation kinetics of various metal oxides promoted methanol synthesis catalyst

• Fabrication of silver oxide nanowires (Ag2O) by electro-chemical deposition in the anodic aluminum oxide template (AAO)

• ZnO nanostructures sensitized by Ag3VO4 nanoparticles prepared by microwaveirradiation and their photocatalytic activities under visible-light irradiation

• Catalytic Cracking of Propane over La/ HZSM-5 Catalyst: Catalyst Activity and Kinetic Study

• Highly Monodispersed Hematite Cubes for Water Remediation

• Thermodynamic study of the (NaBr+Sodium aspartate+Water) system based on potentiometric measurements at T=298.2 K

• Delayed Sample Introduction System for Ion Mobility Spectrometry

• Ligand macromolecule interaction

• Thermodynamic Data

• Calculation of the Ground-State Energy of the Hydrogen Molecule by Coupled Coherent State

• Direct-Potential-Fit Analysis of New UV/Visible A2Π → X2Σ+ and B2Σ+ → X2Σ+ Emission Spectra of ZnH and ZnD

• How are resonance Raman properties of silver clusters affected by interaction with small molecules?

• Analytic solution of Lipmann-Schwinger equation for gas-solid quantum scattering via harmonic confinement

• Synthesis, characterization and DFT/TD-DFT studies on molecular structure, vibration and absorption spectra of binuclear copper (II) complexes

• Investigation of Aromaticity electron doner and electron acceptor and O-,M- and P- Aniline

• The study of Pseudo Jahn-Teller effect on the deformation of SO2 molecule structural

• The influence of the Li2 interaction with pristine and halogenated B10H14on their electronic and nonlinear optical properties

• Energy Decomposition Analysis of adenine-thymine interaction

• Investigation of solvent effect on adenine-thymine interaction

• Theoretical investigation of geometrical properties of 1,1 bis(dichloromethyl)cyclopropane diradical

• Computational study of 1,1-bis(dichloromethyl) 2,2,3,3-tetrachlorocyclopropane diradical

• The camparison of chemical hardness and molecular intraction in C6H12N-X (X: F,Cl,Br,OH) conformers

• DFT study of H2S gas adsorption on BC2NNT and Si-SWCNT

• Descriptive models for explaining permittivity of binary mixtures of Pentane + Primary alcohols

• Theoretical study of dissociation constants of benzodiazepines in aqueous solution

• Influence of different solvents in the tautomerism of 2, 2 ׳ – bipyridine- 3, 3-diol by DFT method

• Modeling and theoretical calculation of gas entropy of benzene derivatives using Topological indices

• DFT Study of the Interactions of Dimethyl fumarate with Al12N12 nano-cage

• B12N12 Nanocage as Nanovector for Interaction with Anti-Neurodegenerative Drug Levodopa: Quantum Mechanical Simulations

• Density functional calculations on adsorption of isoniazid antitubercular drug on the single walled carbon nanotube

• Theoretical study on conformers of tyrosine and tyrosine complexes with ozone molecule by DFT method

• A DFT study on the mechanism of three-component reaction between Cyclohexyl Isocyanide, dimethyl acetylenedicarboxylate and 2- mercaptobenzoxazole

• Predicting Entropies of Aliphatic Ethers using Topological Indices

• Theoretical Study of Molecular Mechanics Methods on MgSO4 Drug and CNC

• Structural analysis of Dicarbaldehyde phoshphin conformers and survey of effects P-heteroatom on the conformers’ stability in gas phase

• Ab Initio Calculations of Two Different Structures (Polymorphs) of 4-NC5H4C(O)NHP(O)[NH–C(CH3)3]2

• Spectroscopic studies of coumarin-343 as dye sensitized solar cells based on density functional theory calculations

• Performance of the π-electron density anisotropy for planner-ring metal clusters

• Investigation of relationship between Spinosa and Shuster methods and describing parameters of bond in gas phase

• Inhibitory effects of Pap against aldo-keto reductases family 1

• DFT study on the reaction mechanism of isocyanide and diamethyl acetylendicarboxlate with 1,3-dimethylbarbituricacide

• Theoretical study on the mechanism of stable phosphorus ylide in the presence of indole

• Metallo-porphyrins induced Nano cone as a sensor for CO gas

• Density functional theory study of N, O, and F effect on structure, electronic, and ammonia adsorption properties of boron nitride nanotube

• Evaluation of Aspirin Structure in the Solvent Phase

• Influence of 2nd row of periodic table encapsulation atoms on structural, electronic and nonlinear optical properties of B12P12 nanoclusters: a DFT study

• BARRIER TO ROTATION OF CH3, CF3, and CCl3 GROUPS IN ACETONE AND ITS HALO DERIVATIVES

• Theoretical Investigation of the Reactions Involving triphenyl phosphite and dimethyl acetylenedicarboxilate with 4,6-dimethyl 2-mercaptopyrimidine

• Amphetamine adsorption on the 2nd row of periodic table encapsulated B12N12 nanocages

• The investigation of different properties of MgSO4 Drug and Carbon Nano Cones

• AN INVESTIGATION INTO THE THEORITICAL PHYSICAL-CHEMISTRY PROPERTIES OF RGANOMETALLIC COMPLEXSES (M=Li, Na and K)BY DFT

• A COMPARATIVE STUDY OF THE DONOR-ACCEPTOR PROPERTIES IN ANALOGOUS RGANOMETALLIC Al4…. X (X=CO, CS, and CSe) ASSITED BY NBO ANALYSIS

• Thermodynamic stability and structural parameters of carbon nano-chains

• Theoretical Study for Reduction of CO to Methane Using TiN-NT with Cu-NP

• Structural analysis of dichlorido{N-[(5-methylthiophen-2-yl)methylidene]-2- (pyridin-2-yl)ethanamine-κ2N,N′} palladium(II) complex via quantum chemistry methods

• Computational study on thermochemical and electronic properties of metalligand interactions in dCl2(C13H14N2S) complex via DFT and QTAIM approaches

• The Molecular docking and DFT calculations of Huperzine A and fluorinated derivatives

• Conformational Behaviors of 2,6-dihalotetrahydrothiopyran-S-oxides and their analogous; encounter between stereoelectronic and steric effects

• Influence of size on nonlinear optical properties of graphdiene: a DFT study

• DFT Study of the Pyrene Effects on Adenine-Thymine and Guanine-Cytosine dimers as building block of DNA

• On the connection between defective Nitrogen doped graphene and activity

• The adsorption of drug anticancer Erlotinib on Boron Nitride Nanotubes by DFT Study

• NBO Analysis on the Phosphorylated Peptide and Zn-DPA Complex as a Biosensor

• AB INITIO POTENTIAL ENERGY CURVES FOR THE GROUND AND LOW-LYING EXCITED STATES OF AuH

• Effect of Li, Na and K atoms encapsulation on adsorption of CO on B12N12 nanocage

• B12N12 nanocage as candidate of NaCl, LiCl and KCl adsorbent

• Experimental and quantum chemical computation of binuclear copper (II) complexes with azide ligands

• Molecular simulation and quantum chemical calculations for inhibition of mild steel by Benzimidazoles

• A Theoretical Study on Structure of [Pentacarbonyl Tungsten←L](L=NHC and Py) Complexes

• A Theoretical Study on Structure and Considering of Metal-Ligand Bond in some [(CO)4 M←BIIM (R)] {M=Mo, R=H, and Br}

• Aromatic-like behavior of Ge19H12 nanocrystals

• Degradation of vitamin C: Theoretical

• Compression of monomeric energy in binuclear and polymeric diorganotin (IV) complexes by DFT calculasion

• A Density Functional Theory Study of gauanabenz anti hypertensive drug adsorption on Boron Nitride Nanotube

• The analysis of electronic structures of the phosphorylation of L-ascorbic acid bound-UlaA from Escherichia coli

• Density functional study of Melphalan on Single Wall Boron Nitride: Structure, electronic properties, NBO, IR and NMR analysis

• Density functional calculations on adsorption of methionine amino acid onto functionalized carbon nanotubes

• Theoretical Investigation on the Mechanism of Gas Phase Reaction between PtCu+ Ion and Methane Using Density Functional Theory

• NORMAL COORDINATE ANALYSIS AND VIBRATIONAL ASSIGNMENTS FOR PYRIDINE AND ITS DEUTERATED DERIVATIVES

• DFT Investigation of tautomerism in 6-flourothymine: Comparison between gas phase and solution methanol

• DFT Investigation of transition state of tautomerism in 6-flourothymine in Methanol solvent

• TITLE: Equilibrium vs. resonance in keto-enol conversions in uracil

• Normal Coordinate Analysis of Bis(Acetylacetonato)zinc(II) and its monohydrated complexes

• Determination of the ground state potential energy curve for CaH from analysis of visible and infrared spectra

• Selective function of B16C16nano-cage towards molecule Water

• The effect of carbon replacement by nitrogen in benzene ring on electronic delocalization of phosphoramidic compounds

• Structural analysis and vibrational spectra of a new carbacylamidophosphate compound: Experimental and Computational study

• Nano porous graphene for gas purification: A quantum chemical investigation

• Theoretical Investigation on Gas Phase Electron Ionization of Serine

• A Theoretical Study on Electron Ionization Mass Spectrum of Threonine

• Introducing a novel method based on ICA algorithm to determination of fluorine intermolecular potential from ab initio calculations

• DFT EFFICIENCY IN DETERMINATION OF -DIKETONES PROTON CHEMICAL SHIFT

• The potential energy surface for interaction of second excited state of CS2 (1VB2) with Ar by using the equation-of-motion coupled cluster theory

• A theoretical mechanistic and experimental study for decomposition of protonated proline

• Normal Coordinate Analysis Of Hexachloroacetone

• QTAIM Investigation of the Adsorption of Carbon Dioxide on the Imidazolium Based Ionic liquid with Amino Acidic Anion

• A Theoretical Study on the Adsorption of Carbon Dioxide on the [Emi][Lys] Ionic liquid

• PROTON TUNNELING IN PYRIDINE-PYRIDININIUM AND ITS 2-AMINO AND 2-AMINO-4-METHYL DERIVATIVES COMPLEXES

• CONFORMATIONAL ANALYSIS AND INTRAMOLECULAR HYDROGEN BONDING IN HEPTANE-3-AMINO-5-ONE

• The Study of Relationship Between Boiling Point in Contrast to Topological Indices of Alkanes Derivatives

• DFT study on the adsorption of Leucine and Isoleucine aliphatic amino acids on Pd doped single-walled carbon nanotube

• DFT study of electronic properties of oligo(1-amino-9,10-anthraquinone) pernigraniline model

• Study of the intramolecular hydrogen bonding of some α-cyano-1,3–diketones by using AIM and NBO calculations

• Solvent effects on the stability and electronic properties of Leucine amino acid adsorbed onto Pd doped carbon nanotube in water medium; A DFT study

• DFT study of boron nitride nanotube as hydrogen fluoride sensor

• Theoretical study of stable conformers and intramolecular hydrogen bonding in chemotherapy drug Lomustine

• Theoretical investigation of 1,3-Di(n-pyridyl)-1,3-propanediones

• Quantum chemistry theoretical study of SimCn nanoclusters with m+n≤

• Management of fuel Optimization by means of hydrogen storage on Na-doped fullerene (A density functional theoretical study)

• Ab initio and DFT Calculation of Conformational Properties and Thermodynamic Properties of Sterically Congested 5-(4-Bromophenyl)-N -(trichloroacetyl)-1,3,4-oxadiazole-2-carboxamide

• FT-IR Spectra and DFT calculations on sterically congested 5-(4-Chlorophenyl)- N -(trichloroacetyl)-1,3,4-oxadiazole-2-carboxamide

• Theoretical study of chain length effect on conjugated length of oligoaniline

• Ab initio potential energy curves for the low-lying electronic states of TlH

• Ab initio potential energy curves and transition dipole moments for the low-lying electronic states of GeH+

• Ab initio potential energy curves and transition dipole moments for the low-lying singlet states of SiH+

• Resonance Raman properties of silver cluster in rare gas matrix

• Reaction between Captopril and Ammonium Ion in the Gas Phase; Experimental and Theoretical Study

• DFT Study on the CO2 Capture by the New Generation of the Ionic Liquids

• A DFT study on nitric oxide (NO) monitoring via borospherene (B40)

• Theoretical investigation on nonlinear optical and electronic properties of carbon-boron-nitride heteronanocluster

• Deperturbation analysis of the ν3 fundamental and hot bands of gaseous BeH2

• The effect of unconventional hydrogen bonding in the stability of keto forms of 2- Bromo-1,3-diphenylpropane-1,3-dione

• The structural and electronic properties of single-walled armchair boron nitride and aluminum nitride nanotubes in the presence of cations and anions: a computational study

• Investigation of Adsorbed Selenium on Zigzag Carbon Nanotubes with Various Diameters by DFT Method

• Einstein A Coefficients for theA1II-X1∑+ and b3∑-a3II Band Systems of CH+ and CD+

• Density functional theory calculations on the effects of fluorine substitution on the chemical properties of Donepezilanti-Alzheimer drug

• Inhibitory capacity changes of Donepezil by fluorine substitution; Molecular docking and Density functional theory calculations

• Theoretical study of glycoside group on antioxidant ability of chrysin

• Theoretical study on the effect of glycoside group on Antioxidant ability of Chrysin

• A DFT Study of the zinc (4-salicylideneimino)benzo-15-crown-5 complex

• Quartic force field and anharmonic vibrational frequencies for ClO- 2

• Theoretical investigation of tautomerism of 3-amino-1H-1,2,4-triazol-5(4H)-one in solution phase: Comparison between water and chloroform

• Investigation of tautomerism of 3-amino-1H-1,2,4-triazol-5(4H)-one in gas phase: A DFT study

• The prediction of two novel nanotubes composed of macrocyclic structures: a DFT study

• Theoretical Investigation on the Mechanism of Gas Phase Reaction between IrPt+ Ion and Methane Using Ab Initio and DFT Methods

• Investigation of the adsorption of the drug guanabenz on single wall Aluminum niride nanotubes; A DFT study

• Theoretical investigation of structures and energetic of Guanethidine on Single Wall Aluminum Nitride: A DFT study

• Dielectric properties of binary mixture of 1,5- pentanediol with 1- octanol at T = 298.2 K

• Temperature and concentration dependence of the relative permittivity of (1,5-pentanediol + 2-ethyl-1-hexanol) binary liquid mixture

• EFFECTS OF THIOUREA ON AGGRIGATION OF THIAZINE DYES: A VISIBLE SPECTROSCOPY STUDY

• UV–VIS SPECTROSCOPY STUDY ON THE DIMERIZATION OF THIAZINE DYES IN AQUEOUS GLUCOSE SOLUTIONS

• Semi-Empirical Evaluation of Viscosity Coefficients for Refrigerant Mixtures: R410A, R421B and R125+R134a at Moderate Density Regimes

• A dielectric study of intermolecular interactions of acetone and dimethylsulphoxide with amyl alcohol at T=298.15 K

• Dielectric analysis of binary system of acetone and 1,4-dioxane at various temperatures

• Some Insights on Phase Transitions in 6OCB Cyanobiphenyl Liquid Crystal

• Liquid phase equilibria of the (water + propionic acid + 2-methyl-1-butanol) ternary system at T = 308.2 K

• Investigation of phase equilibria of ternary aqueous solution of propionic Acid with solvent

• Thermodynamic Study of Surface Coordination Number of Organic Solvent

• Ionic liquids heats of vaporization prediction

• On the Calculation of Thermophysical Properties of Thorium Using Dieterici Model

• Low affinity binding of Cyclodextrins to human serum albumin in high cyclodextrins concentration

• Pressure Dependence of the Viscosity of two Pyrrolidinium-Based Ionic Liquids

• Effect of the Pressure and Temperature on the Viscosities of two Pyrrolidinium Based Ionic Liquids

• Kinetic, Equilibrium and thermodynamic studies thallium adsorption from aqueous solutions by activated carbon modified with rhodamine B

• Estimation of Liquid–Liquid Phase Equilibrium Data for Multicomponent Systems: Salting Effect & Simulated Annealing Algorithm

• Improvement of Attraction Term of Redlich Kwong Equation of State for Ionic Liquids

• Thermodynamic Properties of CO2 and 2-Amino-2-methyl-1-propanol, an Efficient Absorbent for CO2, using GMA Equation of State

• Prediction of excess enthalpy of 2-butanol+1-chlorobutane using CK-SAFT equation of state

• Calculation of Excess Molar Volumes of Liquid Mixtures at High Pressures and Temperatures from Measurements at Ambient Conditions

• Conductomatric Study of the Ternary Electrolyte (1-Ethyl-3-methylimidazolium Bromide + EtOH + H2O) System based on low concentration Chemical model

• Simplified Crossover SAFT Equation of State to description of supercritical thermodynamic and transport properties

• Prediction of the Joule–Thomson inversion curves for natural gas mixtures by SAFT and PC-SAFT equations of state

• Volumetric Properties of melting Polymers Using Modified van derWaals Equation of State by Particle Swarm Optimization Algorithm

• MODELING AND MOLECULAR DYNAMICS SIMULATION ON A HEXAGONAL GLYCOLIPID ASSEMBLY

• An investigation of new designed carbamate drives for acetylcholinesterase (AChE) Inhibitor using molecular docking and molecular dynamic simulation (MD) methods

• The docking and molecular dynamics simulation approach to probing binding of dichlorvos and chlorfenvinphos to Acetylcholinesterase

• Prediction of Binding Modes and Binding Energies between Bioactive Components of Magnolia Bark Extract and Human Serum Albumin by Theoretical methods

• Numerical Study of Nb-doped TiO2 Buffer layer in Perovskite Solar Cell

• Simulation of Excited-State Intramolecular Proton Transfer in [2, 2 -׳ bipyridine]-3, 3 ׳-diol by DFT method

• Docking studies on the binding properties of Methotrexat to Human serum albumin

• Thermophysical properties and interactions for Au complex nanoparticles in water and salt environment by molecular dynamic simulation

• Computational Study of Adsorption of CO2, CH4 and H2S by an New Functionalized Metal−Organic Frameworks MIL-47-X (X=-OH, -OCH3)

• Molecular structure, electronic properties, NBO of Gabapentin with quantum chemical calculations

• Study of the Dynamical criteria of Na19Li36, Na36Li19 and Na54K1 Nanoalloys using Molecular Dynamics Simulations

• STUDY OF THE EFFECT OF AL ADDITION ON THE IMPROVEMENT OF MECHANICAL PROPERTIES OF (ZR0.5CU0.5)100-XALX METALLIC GLASSES BY MOLECULAR DYNAMICS SIMULATIONS

• Modeling of solid oxide fuel with Simulink of matlab

• A Simulated Annealing - Molecular Dynamic Approach for Conformational Sampling of full-length Amyloid-beta Peptide

• NBO, AIM and TD-DFT assisted screening of Metallo-porphyrin induced C70 fullerene on Oxygen sensor design

• Reactive molecular dynamic simulation of the Hyperthermal oxidation of Ni surfaces

• Effect of Magnesium Doped TiO2 on the Efficiency of Perovskite Solar Cell

• Effect of doping Magnesium into the Buffer Layer of Perovskite Solar Cell

• The effect of ligands on the unfolding of human apo-myoglobin: a molecular dynamics study

• The effect of Methanol Number molecules and force fields on self diffusion coefficient and the number of Hydrogen Bonding by Gromacs

• Effects of substituent position on corrosion inhibition of benzenethiols by Monte Carlo simulations and quantum chemical calculation

• Coumarin derivatives binding to ATP-binding cassette trasporter ABCC1 ; A Virtual screening

• Adsorption of Flavonoid Molecules on Carbon Nanotubes by Molecular Dynamics Simulation

• NATURAL GAS SEPARATION VIA GRAPHENE NANO LAYER; MD SIMULATION APPROACH

• Investigation of the Interaction Nanostructure sodium dodecyl sulfate (SDS) with the copper Surface as a Corrosion Inhibitor

• QSAR studies Benzodiazepine derivatives as potential antimicrobial agents based on density functional theory

• Study of thermodynamic properties of ionic liquids based on imidazolium cation and three fluoro tris penta fluoro ethyl phosphate anion using molecular dynamics simulations

• Investigating of the Dynamic Properties of Drug Adsorption onto Graphene Nanosheets

• Investigating of the dynamic properties of endohedral fullerenes (H2O@C60, H2S@C60, NH3@C60 ) using molecular dynamic simulations

• Thermodynamic study of ionic strength effect on Deprotontion constant of gabapentin at T=308.2 K

• EXPERIMENTAL AND QUANTUM CHEMICAL STUDIES ON CORROSION INHIBITION OF PYRIDINE ON ALUMINUM IN ALKALINE MEDIA

• CORROSION INHIBITION OF ALUMINUM BY COLLIDINE IN ALKALINE MEDIA: THEORETICAL AND EXPERIMENTAL INVESTIGATION

• Preparation of Sn/Graphene composite as anode in rechargeable lithium ion batteries

• ELECTROCHEMICAL BEHAVIOR OF SULFONAMIDE DERIVATIVES ON NANO-COMPOSITE MODIFIED CARBON PASTE ELECTRODES

• Preparation of the acid treated active carbon-supported Pd/Pt nanocatalyst for oxygen reduction reaction in advanced Chlor-Alkali

• An investigation of electrocatalytic activity of the grphite electrode modified by NiTPP

• Development of the first enzymatic biosensor for oxytetracycline

• Simultaneous determination of levoDopa, uric acid and folic acid based on elextrocatalytical oxidation of levoDopa by Hb immobilized on WO3 nanoparticle

• Enzymatic biosensor based on entrapment of D-Amino Acid Oxidase on gold nanofilm/ carbon nanotubes nanocomposite for D-Alanine determination in human serum

• INVESTIGATION OF EFFECT PHOTOCELL PbS ON CONDUCTIVE GLASS

• Synthesis of Carbon doped TiO2 Nanotubes as anode of Lithium Ion Batteries

• Mixures of ionic liquid and organic carbonates as electrolyte with improved safety and electrochemical performance in Li-ion batteries

• Investigation of new thiosemicarbazone Schiff base ligand as HCl corrosion inhibitor for mild steel

• SYNTHESIS AND ELECTROCHEMICAL CHARACTERIZATION OF LITHIUM-RICH LAYERED Li[Li0.2Mn0.54Ni0.13Co0.13]O2 CATHODE MATERIAL FOR LITHIUM ION BATTERIES

• Study of Kinetic Release and Taste Masked of a Novel Azithromycin Microcapsule Prepared by Spray-Drying Technique

• The effects of nanozeolite X on crystallization and properties of polyvinyl alcohol nanocomposite films

• Thermodynamic and Kinetic Study of Azo Dyes Adsorption on Silicon Carbide Nanoparticle

• A kinetic spectrophotometric approach for determination of sulfide ion the presence of micelle particles in natural waters

• Catalytic-Kinetic Spectrophotometric Determination of Vanadium(V) based on its Catalytic effect on the Oxidation of Methylene Blue by Bromate

• Kinetic Study of Adsorption of Methotrexate on Mesoporous Silica nanoparticles as a Drug Delivery Carrier System

• Degradation Kinetic of an organic dye promoted by titanium dioxide nanoparticles at various buffer pHs

• Adsorption behavior of silver onto alumina modified with dithiooxamide: process optimization, kinetics and equilibrium

• KINETIC STUDY OF THE REACTION OF CYTOSINE TAUTOMERIZATION IN THE GAS PHASE

• Thermo-Catalytic Decomposition of methane in the presence of Carbon Nanocomposite Catalysts

• A Theoretical Study on the Kinetics of the C2H3+Cl2 Reaction

• Kinetics studies removal of copper ions from aqueous solution using magnetic nanoparticles immobilized on Activated Carbon

• Interpolated Potential Energy Surface and Reaction Dynamics for CH + H2O Reaction

• Microwave-assisted method for one-pot preparation of ZnO/Ag3VO4 nanocomposites with considerable visible-light absorption ability

• Enrichment of Pb(II)with nano-Fe3O4-encapsulated-dioctylphthalate and linkedethylenediamine sorbents Prior to determination by FAAS

• Exteraction of trace Zn (II) using C18 disks nano graphene with aminopropyltriethoxysilane (APTES)

• Preparation and Physical Properties of Peppermint Oil Nanoemulsion

• Magnetic field effect on the electron Raman scattering of a cylindrical quantum dot

• Preparation of nano silica capsules containing polyethylene glycol micelles as anadsorbent for enrofloxacin drug

• Determination of Eriochrome Cyanin R by PbO Nanoparticles Loaded on Activated Carbon Using of Dispersive Solid-phase Microextraction Method

• PREPARATION OF POLYACRILONITRILE/FUNCTIONALIZED CARBON NANOTUBES ELECTROSPUN NANOFIBERS

• Magnetic γ-Fe2O3 based nanomaterials: synthesis, characteristics, and application in pollutant adsorption: Empirical modeling and process optimization by response surface methodology (RSM) and artificial neuralnetwork (ANN) simulation

• Application of statistical experimental design to the optimization of ultrasoundassisted dispersive solid-phase microextraction based on nanoparticles followed by spectrophotometry for the simultaneous determination of dyes in watersamples

• Investigation of kinetic properties of fixed and free lipase on nanochitosan carrier

• Synthesis and characterization of bimodal mesoporous silica nanoparticles for the removal of sulfur from model fuel

• Synthes is Superabsorbent n a n o Composite and Investigation swelling Behavior in various pH

• Study of Adsorption and Kinetic Release of Azithromycin onto MCM-41 Mesoporous

• Calcium Hydroxide Nano particle Synthesis and the Mechanism of Nucleation by Anti solvent Method in the presence and lack of Surfactant

• RECOVERY OF LITHIUM FROM URMIA LAKE BY ADSORPTION ONTO ALUMINIUM HYDROXIDE

• Surface properties and inhibition behavior of ester-containing gemini surfactants on the corrosion rate of mild steel

• Study of Adsorption Thermodynamics of Congo Red in Water and Aqueous Solutions of t-Butanol at 308, 318 and 328 K

• Effect of Preparation Method on the Structural Properties of Mg-Al Hydrotalcite

• Effect of Calcination Temperature on the Structure of Nano Magnesium Oxide

• An investigation of nano-structure and morphology of cationic ester containing gemini surfactants in mixed solvent systems by electrochemical measurements

• Ni-Cu-Al Hydrotalcite-derived mixed oxides as acetone hydrogenation catalyst

• Investigation on the effect of ZrC additive on the combustion instability of HTPB based solid composite propellants

• Study on Vanadium (V) Hydrolysis at the different ionic strength

• QSAR analysis of the toxicity of benzene derivatives

• Dehydration kinetics of a novel nano-porous swollen hydrogel as a carrier matrix for oral drug delivery systems

• Comparison of Doxorubicin Adsorption Isotherms from Functionalized and Unfunctionalized Multiwall Carbon Nanotubes as Nanocarriers Used in Drug Delivery

• QSPR Evaluation of Enthalpies of Vaporization of Acyclic Esters

• A method for computing the mole fraction of Carbon monoxide in a liquid propellant engine

• COPPER FERRITE SPINEL AS POTENTIAL SORBENT FOR ADSORPTIONOF BRILLIANT GREEN FROM AQUEOUS SOLUTIONS

• The influence of various anions on the physicochemical properties of the Dicationic imidazolium-based ionic liquids

• Correlation between electronic parameters and corrosion inhibition of benzothiazole derivatives

• Application of CTAB as a corrosion inhibitor for zinc in alkaline battery solution

• Prediction of the solubility of NH3 in imidazolium-based ionic liquids using Statistical Associating Fluid Theory (SAFT)

• Correlation examination of truncated virial equation of state correspondence to linear isothermal regularity (LIR)

• Interaction of Au as a nano sensor with glutamate amino acid: A quantum chemical study

• Quantum mechanical calculation of transport and relaxation properties of Hg-N2 van der Waals complexes

• Prediction of diffusion coefficient for the Rb and Cs liquid alkali metals near melting point

• Studying structure factor of rubidium and cesium liquid alkali metals using square-well model

• NEW EQUATION OF STATE FOR DETONATION PRODUCTS

• Providing an analytical solution for internal energy of harmonic oscillator from Tsallis statistical mechanics perspective

• Comparison between two kinds of Correlations: Statistic and Microscopic Correlations

• Calculation of Stability Limit of Isotropic and Uniaxial Nematic Liquid Crystals with Hard Ellipsoid Molecules

• Investigation of the Stability of Te doped InSb Structure

• Preparation and characterization of chemically deposited Cu doped ZnS thin films

• Effects of dopants different configurations on electronic structure and magnetic properties of N-doped graphene: an ab-initio study

• Fabrication of multilayer nanowires (Ag/Co/Zn) by electro-chemical deposition in the anodic aluminum oxide template (AAO)

• Biophysical approaches of the interaction between Pd(II) complex with malonate ligand and human serum albumin

• Dissipative vibrational model for chiral recognition in olfaction

• Detecting ssDNA at single-nucleotide resolution by Integrated system of graphene nanopores and carbon nanotube

• Comparing the effect of curcumin and its degradation products on oxidative stability of the peroxidase enzyme

• Thermal Induced Changes in Human Serum Albumin on Diabetic and Non Diabetic Conditions

• SOLUTE-SOLVENT INTERACTIONS AND PHOTOPHYSICAL BEHAVIOR OF SOME AZOQUINOLINE DYES IN VARIOUS ENVIRONMENTS

• A conceptual DFT study of chemical reactivity of pyridine dicarboxamide compounds

• Effect of acid, base and ZnO nano particles on degradation of vitamin C

• Preparation M/Fe/ZSM-5 (M=Ga, In) catalysts for the selective catalytic reduction of nitrogen oxide and calculation their activation energy

• TITLE: Graphene Oxide Fe3O4 magnetic nanoparticles Darshdh optimization factor for toxicity studies on lung cells

• Relative intensity noise in optical injection locked semiconductor lasers

• NEGLECTED ANTIBACTERIAL ACTIVITY OF ETHYLENE GLYCOL AS A COMMON SOLVENT

• Modeling competitive adsorption of Zn and Cd ions by dried activated sludge using a Freundlich-type multi-component isotherm

• Fluoride Removal by Aluminum Alginate Bead: Sorption Kinetics and Equilibrium Studies

• Preparation, Characterization and Flouride Sorption Performance of Fe2O3/Aluminium Alginate Nanocomposite

• Theoretical study of substituent effects on chemoselectivity of some fomamide toward pentachloropyridine: an AIM analysis

• Magnetization Dynamics of a Ferromagnet Attached to the edge State of a 2DTopological Insulator: A Time Dependent nonequilibrium Green's Function Approach

• Preparation of biodiesel from rice bran oil by transesterification method

• Preparation of Fe-Mn nanoparticles by hydrothermal method based on Al2O3 and study of the different aging conditions effects on their structures

• Green and quick synthesis of gold nanoparticles using apple fruit peel extract

• The Effect of Aromatic Content in Diluent on Copper Solvent Extraction Process

• QSAR analysis of the toxicity of benzene derivatives

• The investigation of adsorption of drug anticancer Ceritinib on surfaces Nanotubes Boron Nitride: A DFT study