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20th Iranian Conference on the Chemistry of Physics
20th Iranian Conference on the Chemistry of Physics In date 2017-08-20 by Arak University,Iranian Chemical Society in City Arak was held. please refer to the following link to download all the papers of conference proceedings: _PROCEEDINGS 20th Iranian Conference on the Chemistry of Physics
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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