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دوازدهمین سمینار شیمی فیزیک ایران
دوازدهمین سمینار شیمی فیزیک ایران در تاریخ ۲۹ تیر ۱۳۸۸ توسط دانشگاه کردستان ، در شهر سنندج برگزار گردید. شما می توانید برای دریافت کلیه مقالات پذیرفته شده در این کنفرانس به صفحه مجموعه مقالات دوازدهمین سمینار شیمی فیزیک ایران مراجعه فرمایید.
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مقالات پذیرش شده در دوازدهمین سمینار شیمی فیزیک ایران
A joint experimental and theoretical study of kinetic and mechanism of rearrangement of allylp-tolyl ether
Gas phase reaction of elemental mercury with some products of ozone-water reaction: Acomputational study
Molecular Dynamics Simulations of Liquid Condensed to Liquid Expanded Transitions in DPPC Monolayers
Molecular dynamics simulations of NMR Lineshape Anisotropy of Guest Molecules within Inclusion Complexes
Density, excess molar volumes, viscosities, for binary and ternary mixtures of {Cyclohexanone(1)+ N,N-dimethylacetamide(2) + N,N-diethylethanolamine(3) at 298.15, 308.15 and 318.15 K:Anexperimental and theoretical study
Evaluated of mercury concentrations in fish and water in Anzali wetland: A thermodynamic study
Investigating the Effective Potential Function of the Liquid Mercury on the Whole Liquid Range by Using the Internal Pressure
Measurement and correlation of osmotic coefficients of aqueous solutions of imidazolium-based ionic liquids at different temperatures
Solvent and temperature effects on 1H ,13C NMR Shielding Theoretical studies of Adamantane
Theoretical Study of Interaction Between N-phenolate Betaine Dyes and Some Surfactants
Computational study of BN nanocone
Electronic Property of Boron Nitride and Carbon Double-Walled Hetero-Nanotubes
Uncoupled Partial-wave scattering via separable potentials
Estimation of Atomic and Molecular Correlation Energies from the Electron Density at the Nucleus
Stability and Electronic Properties of Magnesium Hydride Nano Clusters
Dynamic NMR Studies of Ethyl piperidine-1-carbodithioate and Ethyl pyrrolidine-1-carbodithioate, an Experimental and Theoretical Approach
Calculation of Absorption and Resonance Raman Sspectra of Trans-1,3,5-hexatriene Molecule
Fluid-fluid phase transition in hard sphere fluids confined in a nano-slit
Surface and Bulk Properties of Square-Well Fluid
Variational calculations for liquid 3He at finite temperature with the spin-dependent correlation
Viscosity calculation of dense fluids using modified Enskog theory (MET) and LIR equation of state
Calculation of Transport Properties of Nitrogen, Oxygen and a Binary Mixture of Them at High Temperatures and Low Densities Using Molecular Electronic States
Prediction of methanol thermodynamic derivative properties with the SAFT model
The energy effects on phase transition of nano-confined fluids
Kinetic study of the gas phase oxidation of cyclohexane on the VPO Heterogeneous catalyst
Liquid-phase Adsorption of Azo Dye Direct Green 99 on Free and Immobilized Dead Fungal Biomass of Aspergillus niger: equilibrium and Kinetic Study
Liquid phase selective oxidation of alcohols over VPO catalysts supported on Mesoporous hexagonal molecular sieves (HMS)
Preparation, characterization and catalytic oxidation activity of vanadium incorporated nano porous manganese oxide octahedral molecular sieves (OMS-2) catalysts
Acoustical Properties of the Binary Mixtures of Tetrahydrofuran + 1-Alkanols (C3 − C8) at 303.15 K – Comparison with Theories
A theoretical study on Kinetic, Mechanism, and Thermodynamic for Ozone reaction with disulphur Molecule in Gas Phase
Detection of Molten Globule State in β-lactoglobulin by a Novel Palladium (II) Complex
Determination of Isothermal Cure Kinetic parameters of Epoxy/ 1,8- Naphthalene Diamine/ Barium Carbonate Composite
Determination of the formation constants for the complexes of Mo(VI) with Aspartic Acid in a micellar medium under different ionic strengths by using Spectrophotometry
Evaluation the trends of the complexation of Cr(III) with acetylacetone in a micellar and alcoholic media under different ionic strengths using uv-visible spectrophotometric techniques
Photo-Fenton Process for Decolorization of Azo Dye Acid Yellow 23 from Aqueous Solutions by Using ZnO/Clinoptilolite: Optimization and Kinetic Study
Spectrophotometric and thermodynamic studies on the protonation and copper complexation equilibrium of hydroxynaphthol blue in aqueous solution
Theoretical investigation of the hydrogen bonding aniline derivatives with alcohols
Theoretical Study of the Kinetics and Mechanism of the Reactions between triphenylphosphine,dialkylacetylenedicarboxylate and N-H acid Imidazole
LLE prediction by LSER for water + propionic acid + hydrocarbon systems
Phase Equilibria involved in extractive distillation of vinyl acetate + ethyl acetate using 2-methyl-2, 4-pentanediol as entrainer
Spectrophotometric Studies on the Protonation and Thorium Complexation Equilibria of Glycyl-valine using Global Analysis in Aqueous Solution
Study of Ionic Diffusion coefficients in 1-Alkyl-3-Methylimidazolium-Based Ionic Liquids via Molecular Dynamics Simulation
The Effect of Spraying on the Evaporation Rate
Thermodynamics of aqueous solutions of poly(propylene glycol) + sodium phosphate salts at different temperatures
Volumetric, ultrasonic, conductivity and vapor pressure studies of surfactant sodium n-heptyl solfonate in water and in aqueous solutions of poly(ethylene glycol) at several temperatures
A New Perturbed Hard - Sphere Equation of State Based on Semiempirical Approach
A Structural Study of the Amino Acid Ionic Liquids via Molecular Dynamics Simulation
Acid Dissociation constant of tetrakis(4-sulfonatophenyl)porphinzinc (II) in mixed aqueous organic solutions of methanol
Atomistic Simulation of the Structure of the Tetrabutylphosphonium Amino Acid Ionic Liquids
Calculation of Pressure-Volume-Temperature Properties of Mercury Using of Heat of Vaporization
Comparison of Modified Perturbed Hard-Sphere-Chain Equation of State with Peng-Robinson and ISM Equation of State
Comparison of thermodynamics properties of ionic liquids with those of simple electrolytes, polymers,cationic surfactants and tetraalkylammonium salts in aqueous and non-aqueous solutions
Densities, excess molar volumes and partial molar volumes of the binary mixtures of ethylenediamine + alkanols (C1- C4 ) at 298.15 K
Density and Diffraction Coefficient Measurement of PVA Solution
Dielectric study on binary mixtures of (Ester-Alcohol)
Effect of temperature on the salting-out effect and phase separation in aqueous solutions of sodium tungstate and poly(ethylene glycol)
Effective intermolecular potential-energy function for CF4
Electrochemical Study of the Effect of Temperature in Surfactant- β-Cyclodextrin Complex Formation in the Presence of Polyvinylpyrrolidone (PVP)
Excess partial molar volumes and viscosity deviations of binary mixtures of n-butylacetate +1- chloroalkanes Comparison with theory
(Liquid-Liquid) Equilibria of (water+1, 3-butanediol+2-ethyl-1-hexanol)at different temperatures
MD simulation of CF4: prediction of pressure data and evaluation of effective pair potential model
Measurement and Correlation of Liquid-Liquid Equilibrium in Ternary Systems TEG + Salt + Water at Different Temperatures
Measurement and correlation of water activity of aqueous solutions of sodium tungstate + poly(ethylene glycol) 6000 at 298.15 K
Measurement of electrical conductivity, Osmotic Coefficients and Refractive Indices of aqueous solution of ionic liquid, 1-propyl-3-methylimidazolium methyl sulfate at T=(298.15 to 328.15)
Molecular Dynamics Simulation of the Amino Acid Ionic Liquids with the Alanine and Glycine Anions
physico –chemical studies of solvent-solvent in binary mixture (benzyl alcohol- alkanol) at T=298.15
Salt effect on liquid–liquid equilibrium of water + 2-butanol + acetone system
Solute - solvent interactions in aqueous solutions of glycine in ionic liquids, 1-alkyl–3-methylimidazolium bromide at T = 298.15 K
Solvent Effects on Protonation of Glycine and Some Glycine Peptides in Different Aqueous Solutions of Ethanol
Study of removal organic dye from contaminated water by electrocoagulation process
The study of temperature effect on the refractive index of mixing (Cyclohexanone (1) +N,N-Ndimethylacetamide(2) +N,N-diethylethanolamine (3) . An experimental and theoretical study
The study of the molecular interactions of ternary mixtures 1-butanol (1) + 2-butanol (2) + 1,2-butanediol (3) Comparison with theories
Thermodynamic Study of Interaction of Lead(II) with Histidine
Transport Properties of Mercury Vapor
Chemisorption of Hydrogen on the Armchair Boron-Nitride Nanotubes:A Density Functional Study
The role of the Au electrodes in the electronic and structure properties of a molecular wire
DFT and X-ray studies on the nature of hydrogen bonding in 1,2-dibenzoyl-cyclopentadiene
Force field effect on the MC prediction of vapor-liquid phase equilibria for low aliphatic alcohols
pKa prediction of some anilines using ab initio methods
Prediction of Properties the TUHC6[2p, q] with Graph Theory
Prediction of the phase behavior of pure polar compounds
Structure, vibrational assignment, and NMR spectroscopy of 2,3-bis (dichloroacetyl) cyclopentadiene
Vibrational spectra and assignments using ab initio and density functional theory analysis on the structure of amoxicillin
Activity coefficients and thermodynamic parameters for KCl +Sucrose +Water system at 298.15 K
Investigation of Correlation Entropy in the Nonlinear Differential Equations Arising from Electrodissolution of Metals, as a Quantifier of Chaos for the Electrochemical Chaotic Oscillations
Study of the Au-Co alloy electrodeposition mechanism from acid bath and the effect of Tl+ on the deposition properties
Study On Ion Transport During the Redox process of Polypyrrole and its blend with Poly (vinylsulfonate) films using Voltammetry and EIS studies
An Impedance Study of Electrodeposited Lead Sulfide Semiconductor
Effect of anodizing and chromated – phosphated conversion coatings on the corrosion resistance of Polyaniline –TiO2 – epoxy coatings on Al 5000 series alloys in 3.5%NaCl
Effect of Temperature in Inclusion Complex Formation Between Amitriptyline Hydrochloride, as an Antidepressant Drug and β –Cyclodextrin in Water/n-Alcohol mixture
Electrochemical oxidation of saccharose at some copper-based electrodes in alkaline media
Electrochemical synthesis of polypyrrole films on copper electrode: Evalution of corrosion protection efficiency
Electrochemical synthesis of Polypyrrole –TiO2 nanocomposites on mild steel and Corrosion study
Electropolymerization of polyaniline nanofibres
Investigation of Birhythmicity in the Nonlinear Differential Equations Arising from Electrodissolution of Metals, as New Phenomenon in Electrochemical Oscillations
Construction of a Particle Counter
Characterization of Nanostructured ZnS Thin Films Deposited by Chemical Process on the Si Substrates
Curvature Effect on the Structure and Electronic Properties of BN Nanoribbons
Design of nanoscale molecular wire based on diphenylacetylene: Role of Linkage
Fabrication, Characterization, and Measurement of Some Physicochemical Properties of Znic Oxide Nanofluids
Preparation and Physical Properties of Nanocrystalline Tin Oxide Thin Films by Annealing of SnS Thin Films
Synthesis and investigation of properties of Hollow CdS nanosphere
The Effect of Curvature on the Electronic Structure of Graphene Sheets
Antibacterial Activity of Nanofluids of Zinc Oxide Nanoparticles
Investigation of the thermal conductivity, viscosity and mending effect of Cu, CuO and TiO2 nanoparticles in the engine base oil
Modification in the Chemical Bath Deposition Apparatus, Growth and Characterization of Nanostructured SnS Thin Films for Photovoltaic Applications
Morphology, Dynamic Mechanical and Thermal Studies on Nanocellulose Reinforced Epoxy Composites
Nano Zero-valent iron in removal of Nickel and Cobalt from wastewater
Preparation and characterization of nanocrystalline CdTe thin films by chemical bath deposition method
Preparation of the nanocrystalline CdSe thin films by Chemical Bath Deposition method in low-temperature
Quantification of local σ-π mixing in bent conjugated systems: application to C60 buckminsterfullerene
Study of metal clusters using quantum mechanics methods
Study of Micellization of CTAB Using a Novel of Surfactant Membrane Ion Selective Electrode Based on Carbon Nano Tube
The magnetic properties of Fe3O4 nanoparticale with different Coats and hydrodynamic diameters
Viscosity and Rheological properties of Nanofluids(TiO2/PG)
Evaluation of Accurate Absolute Hardness: A New Approach
Halogen Bonding: a Lump-Hole Interaction
Interaction of Coinage Metal Clusters with Chalcogen Dihydrides
Quantification of Kinetic Energy Pressure
Quantum chemical analysis of ATP, GTP and related compounds in gas phase
Study of the hydrogen bonding using quantum Monte Carlo method
AIM analysis for the ylide rotamers from the reaction between triphenylphosphine and dialkyl acetylenedicarboxylates in the presence of 2-pyrrolecarbaldehyde
Aromatic character studies on calicene and calicene-like containing heavier atoms via nuclear independent chemical shifts (NICS)
Information Entropy as a New Measure of Aromaticity; Shannon Aromaticity
Intermolecular Potential Energy Surface for CS2 –CS2
Isodesmic reaction studies on five-memebered heterocyclic C4H4M (M = O, S, Se, Te, NH, PH, AsH and SbH): DFT calculations
On the Underlying Assumptions of Bell Theorem A Terminology Analysis
Quantum chemistry studies of the NH2NO–H2O2 complexes
Racemization and singlet-triplet energy gaps in cyclic divalent seven-membered C6H6C and its heavier analogues
Stacking interaction between uracil nuclobase and phenylalanine amino acid in the presence of anion
Steric effect involvement on norbornadiene-quadricyclane system for maximizing the solar energy storage: DFT calculations
Theoretical Study on Some Dipeptides in Gas Phase
The Study of ab initio theory and PCM–UAHF model for Prediction of the pKa for Silanoic acids derivatives in aqueous solution
1s-2p resonance Rabi oscillation of Hydrogen atom in intense laser field
Effect of ultrasounds on the aggregative behaviours of Methylene blue
Investigation of Dependence of the Electronic Transition Moment for K→Π* Excitation and Kshell Ionization Spectra of O2 and CO Molecules
Simulation of photoelectron spectra of nonlinear triatomic molecules: including mode mixing
Structure and conformation of α-, β- and γ- cyclodextrin in solution :Theoretical approaches and experimental validation
Study of Doubly Excited States of Helium –Excitation of 1/3S Metastable Helium Atoms
Structure and vibrational assignment of magnesium acetylacetonate. A density functional theoretical study
The Effect of Drift Tube Geometry on Ion Transmission
Thermodynamic Characterization of silver nanoparticle binding to hemoglobin
Two photon time-resolved optogalvanic signals of Neon
A metabonomic study on samples of cutaneous leishmaniasis and correlation with the level of selenium of their blood serum
A novel view of lomefloxacin binding to lactoferrin: Spectroscopic approaches
Calculation of decoherence rate for atom-field interaction in induced-emission processes
Calculation of Franck-Condon Factors for diatomic molecules using Rosen-Morse & Hua potential
Conformational stabilities, PEP, EPR and NQR studies of the diaqua tris(ethylenediamine) copper
DFT study of hydrogen-bonding effects on the 17O, 14N and 2H electric field gradient tensors and isotropic chemical shifts of 8-hydroxyquinolinium and the 2-carboxy-4,5-dichlorobenzoate (I) and 8-aminoquinolinium and the 2-carboxy-4,5-dichlorobenzoate (II)
Effects of New Anti-Cancer Compound (2, 2-Bipyridin EthylglycinatoPd(II) Nitrate ) on the Structure of Blood Carrier Protein (Human Serum Albumin)
Elimination of NO+ from the Reactant Ions in Ion Mobility Spectrometry
Influence of the chemical structure of two cationic dyes and some anionic surfactants on the aggregative behaviors of these dyes
Molecular structure and vibrational assignment of benzylacetoacetate
Simulation of photoelectron spectrum of OClO molecule : including Duschinsky and anharmonicity effects
Structure and vibrational assignment of the enol form of α-bromo-acetylacetone
Vibrational Assignment and Density Functional Theory Efficiency in Predicting the Vibrational Frequencies of Thiophenol
Vibrational assignment and proton tunneling in pyridine-pyridinium complex
Adsorption of Ternary Mixtures of Methane, Carbon Dioxide and Hydrogen Sulfide from Biogas through Single-Walled Carbon Nanotubes: Temperature, Pressure and Pore Size Effects
Coping with the anisotropy in the analytical representation of potential energy surfaces of van der Waals complexes
Molecular Dynamics Study of Hydrogen Self Diffusion in Metal Decorated Single-Walled Carbon Nanotubes
Molecular Dynamics Studies of the Electrical Conductivity of Imidazolium-Based Ionic Liquids
Non-Equilibrium Molecular Dynamics simulation of diffusion in nonuniform nanochannels
The Density Profile of Hard Sphere Fluids around a Hard Nanotube in a Nanofluid (A Density Functional Theory Study)
Calculation of vapor-liquid interfacial surface thickness of associating fluid using density profile and SAFT-DFT approach
Investigating the Rectilinear Law and Critical Exponent for Confined Fluids
Molecular dynamic simulation for radial distribution function of Xenon and Argon fluids
Molecular Dynamics simulation of Diffusion Coefficient of Gases in Polystyrene
Molecular dynamics simulation of radial distribution function based on the intermolecular potential tables
Nanoclusters in Tsallis Non-extensive statistical mechanics
Solvation Structure in Trifluoroethanol/Water Solvent Mixtures
Prediction of Excess Thermodynamic Functions and Activity Coefficients of Some Polymeric Liquid Mixtures Using a Simple Equation of State
Study of temperature and density effect on local structure in methylamine-water mixture using molecular dynamics simulation
Study of Triptofan cage folding using Molecular dynamics simulation
Transport Properties of LJ (14,7) Fluid: The Integral Equations Method
Wavelet neural network-QSPR based for density prediction of ketones over a wide range of temperature and pressure
Wavelet neural network-GCM based for density prediction of liquefied and compressed natural gas (LNG and CNG) over a wide range of temperature and pressure
Wavelet neural network modeling of n-alkanes using group contribution method over a wide range of temperature and pressure
A comparative study of adsorption of pentaflourophenol onto granular, powdered and cloth activated carbon, from equilibrium and kinetics point of view
Characterization of TiO2 nanoparticles and adsorption of salicylic acid on its surface
Dimethyl ether synthesis via methanol over metal oxide catalysts supported on zeolite Y in a fixed bed reactor
Experimental Study of Surface Tension of Alcohols/ n-Alkyl Acetates Binary Mixtures
First principle study of Li adsorption on Single-Wall Boron Nitride Nanotube with Stone-Wales Defect
Lattice Monte Carlo Simulation of Surfactant-Oil-Water System
Liquid-phase oxidation of alcohols by manganese containing mesoporous molecular sieves (Mn-HMS) catalyst
Physicochemical studies of the interaction of cationic Gemini surfactants with a neutral polymer in aqueous solution
Stady of adsorption of meta-diaminoazo benzene hydrochloride (chrysoidin G) on granulated active carbon (GAC) and evalution of its thermodynamic and kinetic parameters
Study of equilibrium and kinetics of adsorption of resorcinol from aqueous solutions onto activated carbon cloth
The Effect of Surface Charge on protein adsorption
Determination of the phase transition temperature of CF4 through the maximum Lyapunov exponents using molecular simulation
Effects of Particle Size Distribution on In-vitro Release Behavior of Chitosan Nanoparticles Containing Salicylic acid as an Oral Drug Delivery System
A novel quantitative structure-property relationship model f prediction of lower flammability limits of organic compounds: A combined data splitting-feature selection strategy
Computer experiments and chemistry education
Densities, Viscosities, Refractive Indexes and Excess Molar Volumes of Binary Mixtures (1, 2- Propanediol + 1- Heptanol, or 1 Hexanol) and (1, 2-Ethanediol + 2-Butanol, 2-Propanol ) at various temperatures
Measurement on excess thermodynamic functions of binary mixtures of 1-heptanol and 3-amino1- propanol
Prediction of aqueous solubility's of some pharmaceutical compounds using ab initio and chemometrics methods
Quantitative structure-property relationship study of inhibitory of dihydropyridine by quantum chemical descriptors and ODC-PLS
Quantitative structure-toxicity relationships of nitroaromatic compounds by linear and nonlinear chemometrics Methods
Spectrophotometric and thermodynamic studies on the acidity constants of 4-(4-nitrophenylazo) resorcin in micellar media
Spectroscopic Studies of the Interaction of Silver Nanoparticle with Calf Thymus DNA
Density Functional Theory Study of the Effects of Diameter and Orientation on the Adsorption of Methane and Tetrafluoromethane on the Zigzag Single-Walled Carbon Nanotubes