91 30-91 00 تعاس ، 9328 دادرم 92 هبنش هسphyschem22.ir/Areas/Panel/Hamayesh/1/Files/f2b4124d-ce49-463b-a924... · Thermal Expansion Coefficient of sI Clathrate Hydrates

، دانشکده علوم، دانشگاه زنجان1398 مرداد 31-29ایران فیزیکدومین سمینار شیمی بیست و

مقاالت پذیرفته شده به صورت پوستربندی ارائه زمان

30:91-00:91، ساعت 9328مرداد 92 سه شنبه

Paper Title Presenter Paper

Code

Poster

No.

Study of Methane, Ethane and Propane Adsorptions on

ZJU-9a Using GCMC Method haderiGMaryam

IPCC22-1036 1

Electric Field Effect on the Adsorption of Li, Na, Mg and

Ca on Silicene sheet: A DFT study

Zahra

Hasanzadeh

Tazeh Gheshlagh

IPCC22-1097 2

Quantum Capacitance Effect on silicene sheet doped with

N, B and F atoms: A DFT study

Zahra

Hasanzadeh

Tazeh Gheshlagh

IPCC22-1100 3

Structure and Dynamics in Poly(ethylene terephthalate):

Coarse-Grained Molecular Dynamics Simulations

Nazzila

Golmohammadi

IPCC22-1108 4

Molecular Dynamics Simulation of Ionic Liquid 1-n-Butyl-

3-Methylimidazolium Methylsulfate in Contact with a

Silica Surface

Nazila

Golmohammadi

IPCC22-1107 5

Study of the Structure of the Peptides Stabilized by the

Hydrogen-Bond Surrogate Approach Using Molecular

Dynamics Simulation

Negar

Mehdizadeh

darban

IPCC22-1184 6

Hydrogen bonding in Systems Comprising Chitosan

Nanoparticles/poly vinyl alcohol/Erythromycin

Seyede Mahtab

Hosseini

IPCC22-1306 7

DFT Study Of Novel Drug Delivery Systems Comprising

Nanoparticles Based On Chitosan Nanoparticles/Graphene

Oxided/Folic Acide For Deliver Targeted Of The

Chemotherapy Drugs

Seyede Mahtab

Hosseini

IPCC22-1249 8

Study of adsorptions and separation of CO2 and H2S in

nanoporous carbon model by GCMC Zahra Zarifnia

IPCC22-1234 9

DFT Studies of Ethylene Oxide Adsorption on Pristine and

Ga-doped Carbon Nanotubes Tooba Afshari

IPCC22-1002 10

Direct Conversion Of Chlorella Vulgaris Microalgae To

Biodiesel Under Supercritical Methanol Condition In The

Presence of Heterogeneous Nano-photocatalyst

Maryam

Aghilinategh

IPCC22-1044 11

The Effect of Cation Type and Temperature on the

Transport Properties of Some Room Temperature Ionic

Liquids

Azadeh

Daneshvar

IPCC22-1085 12

A Quantum Study on the Fe-Containing Ionic Liquids Azadeh

Daneshvar

IPCC22-1086 13

Investigation of the Heterogeneity Order Parameter of Four

Different Imidazolium- And Cholinium-Based Ionic

Liquids

Sogol Hajiyan

IPCC22-1083 14

Analysis of the Spatial and Radial Distribution Functions

of Ionic Liquids with Different Cations Sogol Hajiyan

IPCC22-1084 15

Calculation of Electronic Spectra For Carbazole

Derivatives For Applications in Thermally Activated

Delayed Fluorescence

Fariba

Mohammadian-

Sabet

IPCC22-1048 16

Density Functional Study of two Heterodiazocine

Molecular Photoswitches Shahla . Heliche

IPCC22-1183 17

Dispersion-Corrected Density Functional Study of two

Acylhydrazone Molecular Photoswitches Shahla Heliche

IPCC22-1243 18

Molecular Dynamics Investigation of Gramicidin-C Samaneh IPCC22-1270 19



Peptide as antibacterial drug in DMPC Bilayers baranipour

Structural and Dynamical Properties of phenyl propanoic

acid Via Molecular Dynamics Simulations

Parisa

Jahanbakhsh-

Bonab

IPCC22-1303 20

Studying Of Interaction Of Peptide Adsorbed On Graphene

Using Molecular Dynamic Simulation Sahar Razzaghi

IPCC22-1031 21

Molecular Dynamics Simulations of amino acid ionic

liquids Sahar Shokri

IPCC22-1156 22

Preparation of Water Soluble Single Walled Carbon

Nanotubes: Study of the Chirality Effect Insights from

Molecular Dynamics Simulations

Leila Tohidifar

IPCC22-1096 23

Investigation of N-doped Graphene as an absorbent for

H2S gas: A DFT Study

Zohreh

YOUSEFIAN

IPCC22-1102 24

Theoretical Study of Oxime Derivatives containing

Quinoxaline

Khadijeh

Shekoohi

IPCC22-1189 25

Development of Optimized Potentials for Liquid

Simulation All-Atom (OPLS-AA) Force Field to Sarin

Nerve Agent

Leila Ebrahimi

IPCC22-1160 26

DFT Calculations of Iron Chelators as Siderophore

Inhibitors Marjan A. Rafiee

IPCC22-1129 27

DFT Calculations of Pressure Induced Phases of Calcium

Borohydride as Hydrogen Storage Material in Fuel Cells

Marjan A. Rafiee

IPCC22-1130 28

Influence of various anions on physicochemical properties

ionic liquids based on 1-benzy bis (l-2,3,4,6,7,8,9,10-octa

hydropyrimido [1,2-a] azepinium) dication:

characterization and DFT calculations

Sara Fallah

Ghasemi

IPCC22-1032 29

Theoretical investigation of inhibitors of HIV Maryam

Dehestani

IPCC22-1257 30

Effect of Silver Atom on Bis-GMA Structure: A

Computational Chemistry Study

Maryam

Dehestani

IPCC22-1177 31

QM study the inhibitory effect of Bisulfite Ion on

inhibition of carbonic enzyme Azar Larijani

IPCC22-1092 32

Comparison of the inhibitory effect of thiocyanate and

isothiocyanate on inhibition of carbonic anhydrase enzyme:

The DFT study

Azar Larijani

IPCC22-1131 33

Molecular Dynamics Simulation of Ionic Liquid 1-Ethyl-3-

Methyl Imidazolium Methyl Sulfate Hamideh Basouli

IPCC22-1106 34

Thermal Expansion Coefficient of sI Clathrate Hydrates by

Molecular Dynamics Simulation

Hossein

Mohammadi-

Manesh

IPCC22-1244 35

investigation of thermal decomposition and chemical

ionization of N-aminophthalimide in the gas phase using

ion mobility spectrometry

Mina Amiri

IPCC22-1289 36

Theoretical investigations of copper ion selectivity by new

fluorescent chemo sensor based on carbazole-Schiff

Nasibeh

Dehghani

IPCC22-1269 37

DFT Calculations and Theoretical Investigations of an

innovative Lead(II)-nitrite metal-ligand compound

Babak

Mirtamizdoust

IPCC22-1253 38

Electric Field Effect on the Interaction of Helium with

Defected Graphene Sheet: A DFT Study

Seyedeh Shabnam

Daryabari

IPCC22-1091 39

Separation and Diffusion of Helium from Defective

Graphene A comparative DFT study

Seyedeh Shabnam

Daryabari

IPCC22-1090 40



Theoretical Study of Carbonic Anhydrase Inhibition by

natural products Samira Gholami

IPCC22-1028 41

Theoretical Study Of Protic Ionic Liquids Composed Of N-

Hexylethylenediaminium Trifluoromethanesulfonate

Abdolhossein

Haghania

IPCC22-1127 42

QTAIM study of a single molecular wire: Quantum

atomic-scale study Hadi Hamid

IPCC22-1144 43

Theoritical investigation of vinylogus anomeric effects on

the stability of 4-H-4-amino-1-methylpyridin and its

analogues

Neda Najjari

Milani

IPCC22-1059 44

Theoretical research of vinylogous Anomeric effects on the

stability of 4-H-4-triazole-1-methylpyridin and its

analogues

Neda Najjari

Milani

IPCC22-1060 45

(Computational assessment of the electro-optical

characteristics of Lin@B12 (n=1, 2, 3 Maryam

Yousefizadeh

IPCC22-1081 46

Substitution effects on philicity of 1,3-diarylphosphole-2-

ylidenes based on DFT method Azam Shiri

IPCC22-1157 47

QM Study of complex between Acetazolamide inhibitor

and human α-carbonic anhydras enzyme Farideh Salari

IPCC22-1121 48

Exploring binding of some 4H-benzo[g][1,2,3]triazolo[5,1-

c][1,4]oxazocine derivatives with calf thymus DNA using

computational methods

Esmail Sanchoo

IPCC22-1205 49

Kinetic Monte Carlo Simulation of hydrogen production

from formic acid decomposition on Cu(100) catalyst Marzieh Rafiee

IPCC22-1138 50

Molecular Dynamics Simulation of Aqueous Solutions of a

Hydrophilic Room Temperature Ionic Liquid

Mohammad

Kowsari

IPCC22-1272 51

Rotational and Spin-Orbit Hamiltonian Matrices for Low-

Lying States of NiH

Ali reza

Shayesteh

IPCC22-1133 52

Spin-Orbit Coupling Matrix Elements in Electronic States

of PdH

Ali reza

Shayesteh

IPCC22-1067 53

The Influence of Li Atoms on Electronic and Structural

Properties of Silicon Carbide Nano sheets. Tahereh Lotfi

IPCC22-1034 54

Density Functional Theory Study on the Oxidation

Reaction of 3-Phenylthiophen Derivatives HosainNikoofard

IPCC22-1033 55

The role of internuclear distances in the minima and

electron states in HHG of H2+

Ghazaleh

Gharajeh Marand

IPCC22-1178 56

Photophysical Properties of Thermally Activated Delayed

Fluorescence Emitters From Optimally Tuned Range-

Separated Functionals

Zahra Safari

IPCC22-1192 57

Spin-Orbit Coupling Effect on the Electronic Properties of

Neutral Gold Clusters

Mahnaz

Jabbarzadeh Sani

IPCC22-1212 58

Theoretical study of adsorption of trichloroethylene on the

surface of beryllium oxide nanotubes Nasibeh Tavakoli

IPCC22-1248 59

The studies of kinetic and atmospheric reaction

mechanisms of pyrene in the presence of OH radicals

Maryam

Nayebzadeh

IPCC22-1016 60

Wettability of Electrochemically Activated Carbon Cloth Nazli Morovati IPCC22-1176 61

Efficient eletrocatalytic hydrogen evolution reaction on

MoS2 nanosheets coated carbon cloth

Nazli Morovati IPCC22-1191 62



30:90-99:00، ساعت 9328مرداد 30 شنبه صبحچهار


Code

Poster

No.

Salting Effect of Amino Acids and Surfactants on the

Clouding Behavior of Polypropylene Glycol in Aqueous

Media

Nosaibah

Ebrahimi

IPCC22-1159 1

Volumetric and Compressibility Studies of

Tetraalkylammonium Bromide Salts in Aqueous Solutions

at Different Temperatures

Shadieh

Yadollahzadeh

IPCC22-1182 2

Prigogine–Flory– Patterson theory to correlate the excess

molar volume and study of interactions for aqueous

solutions of some choline chloride based deep eutectic

solvents

Saeid Faraji

IPCC22-1233 3

Thermodynamic Study of (CaCl2 + N,N-

Dimethylacetamide + H2O) System Based on

Potentiometric Measurements at T = 298.2 K

Fatemeh Sayyadi-

Kalashami

IPCC22-1079 4

Correlation of Celecoxib Solubility in Aqueous Solutions

Containing Some Choline Based Deep Eutectic Solvents as

Sustainable Solvents

Masumeh

Mokhtarpour

IPCC22-1265 5

Conductometric Study of 1-Propyl-3-methylimidazolium

Bromide Ionic Liquid in Water and Ethylene Carbonate

Mixtures

Tayyebe Nosrati

Fallahkar

IPCC22-1045 6

Thermodynamic Behaviour Of Lithium Chloride Solutions

Containing Deep Eutectic Solvent In The Dilute Region

At T = (288.15 to 303.15) K

Asma Sadr-

Mousavi

IPCC22-1149 7

Determination of Kamlet-Abboud-Taft solvatochromic

parameters in some green solvent mixtures Fatemeh Pasham

IPCC22-1172 8

9

Effect of choline chloride/urea deep eutectic solvent as

green and sustainable solvents on conductivity of aqueous

sugar solutions

Hemayat Shekaari

IPCC22-1225 10

Study of molecular interactions between choline

chloride/urea deep eutectic solvent and meloxicam Selva Golgoun

IPCC22-1227 11

. Gibbs energies of transfer of NH4SCN from water to

aqueous solution of Butanol using Potentiometric Method Vahideh Masumi

IPCC22-1155 12

Volumetric Properties of Ternary Mixtures for Choline

Salicylate (API-IL) + Amino acids + Water at T = 298.15

K

Negin Ammari

IPCC22-1152 13

Volumetric and electromagnetic study of the binary

mixtures nonelectrolyte solutions dibutylamine /1-heptanol

at different temperatures

Fatemeh Parviz

IPCC22-1094 14

Study on the protonation equilibria of drug naproxen in

different surfactant media Yeganeh Nachari

IPCC22-1173 15

Prediction of Water Content in Poly (Para-Phenylene

terephthalamide) Based on Non-Electrolyte Flory-Huggins

Theory

Maryam Abedi

IPCC22-1190 16

Dielectric study of 1,3 and 1,4-butandiol and

cyclopentanone

Atefeh Akbarnia

Dafrazi

IPCC22-1123 17

Measurement the Sound Speeds, Densities and Refractive

Indices of Biodiesel Components and Their Alcoholic

Mixtures with 2Methyl1butanol, 2Butanol and

Haheh Ghazipour

IPCC22-1050 18



1,2Butandiol

Electrophilic and Nucleophilic Activities of C40N20 and

C42N18, a DFT Study Sanaz Haghgoo

IPCC22-1026 19

Theoretical Study on the Absorption of some Metal Oxides

on Fullerene C60 as Potential Detectors for NO2 Sanaz Haghgoo

IPCC22-1027 20

Study of the liquid-liquid equilibrium for aqueous systems

containing choline bitartrate and 1-propanol at different

temperatures and their performances in acetaminophen

separation

Elnaz

Pourbagherian

IPCC22-1148 21

Experimental study on the calorimetric data of Aniline +

Alkylamine (C4 and C6) at 303.15 K.

Mehdi Dadkhah

Tehrani

IPCC22-1238 22

Investigation of changes effect of glycine / urea ratio on

ΔCp during the process of synthesis of alumina

nanopowder

Mostafa

Rajabzadeh

IPCC22-1087 23

Solvent Effects in the Reduction of Hydrogen Peroxide in

presence of Glutathione Peroxidase Mimic, Molecular

Approach

Mohammad

Tashakori

IPCC22-1019 24

The gas phase reaction of CH2CH2OH + NH2: A

computational study Hadi Zarepour

IPCC22-1236 25

The reaction of CH2OH + 3NH in the gas phase Hadi Zarepour IPCC22-1237 26

Kinetics of chemical equilibrium between adenine and its

tautomers Rahman Padash IPCC22-1042 27

Dynamic and Kinetic Parameters of NH + "H" _"2"

Reaction on an Interpolated Potential Energy Surface Rahman Padash

IPCC22-1120 28

Adsorption study of Penicillin onto Single-Walled Carbon

Nanotubes from Kinetics Perspective Ali Mehrizad

IPCC22-1061 29

Photocatalytic Degradation of Direct Blue 14 by

Polyaniline/CdS Nanocomposite

Ali Mehrizad

IPCC22-1068 30

Electro-Fenton-like process for treatment of aqueous

solution of MO dye

Roghaieh

Maghbool

IPCC22-1020 31

Photofixation of Dinitrogen to Ammonia by ZnO

Nanostructure Decorated with MnV2O6 under Ambient

Conditions

Elham Vesali-

Kermani

IPCC22-1022 32

g-C3N4 nanosheet/Carbon dots/BiOBr Nanocomposite: An

Impressive Photocatalyst for Degradation of Congo-Red

Dye Under Visible-Light Illumination

Soheila

Asadzadeh-

Khaneghah

IPCC22-1024 33

Collision Processes, Dynamic Parameters, Temperature

Dependence of the Collisional Rate Coefficients of NH +

OH and Deuterated Analogues on an Interpolated Potential

Energy Surface

Raziyeh

Sharafdini

IPCC22-1104 34

Theoretical Dynamics Study of Cytosine Tautomerism in

the Gas Phase and Interaction of Na+ With Its Tautomers

Raziyeh

Sharafdini

IPCC22-1105 35

The Potential Energy surface of Numan Rotation of N,N’-

dinitrosopiperazine: A Theoretical study

Hamid

Arjmandfar

IPCC22-1195 36

Theoretical study on the Potential energy surface of Numan

rotation of N-Nitrosopiperazine

Hamid

Arjmandfar

IPCC22-1194 37

One-Pot Synthesis of Succinimide-3-Carboxamide

Derivatives Using Microwave and Mechanistic insights

Mohammad

Kazemian

IPCC22-1235 38



and Kinetics analysis by Computational Method

Kinetic Studies of Oxidative Addition Reaction of Ethyl

Iodide for Synthesizing New Pt(IV) Complex Maryam Noori

IPCC22-1294 39

Investigation of DNA Interaction with Two New

Platinum(II) Complexes Maryam Noori

IPCC22-1295 40

The effect of water on the HS + HOCl reaction:

mechanistic and thermodynamic viewpoints Khadigeh Seydi

IPCC22-1239 41

The atmospheric reaction of HS + HOCl: mechanistic and

thermodynamic viewpoints Khadigeh Seydi

IPCC22-1240 42

Isotherm and Kinetic Studies of the Bi(III) Extraction from

Hydrochloric Acid Media by a Polymer Inclusion

Membrane Containing Trioctylamine

Narges Ghaderi

IPCC22-1113 43

High efficient photocatalytic degradation of Malachite

green using visible-light- driven TiO2/CDs/Polyaniline

photocatalyst

Solmaz Feizpoor

IPCC22-1023 44

Starch-poly(acrylic acid)-Cu(II) Based Catalyst for Kinetic

Studies in Epinephrine Oxidation Somayeh Rezheh

IPCC22-1165 45

P(AA)-Co(II) Based Catalyst for Kinetic Studies in Methyl

Orange Degradation Somayeh Rezheh IPCC22-1164 46

Persulfate ions activated TiO2/Carbon dots nanocomposite

as a highly active photocatalyst for the degradation of

Congo red under visible-light illumination

Mina Sabri

IPCC22-1021 47

Study of Reactive Yellow 145 Removal by Ag/GO

nanocomposite using Response Surface Methodology

Parvin Gharbani

IPCC22-1101 48

Equilibrium and Kinetic Study of 4-Nitrophenol Removal

by Modified Silk Waste

Parvin Gharbani

IPCC22-1098 49

Kinetic and Isotherm Modeling Studies of the V(V)

Extraction from Sulfate Solution Using an Aliquat®

336/PVDF-Co-HFP Polymer Inclusion Membrane

Salar Bahrami

IPCC22-1132 50

Corresponding States Correlations for Viscosity of Dilute

n-Butane Hadiseh Asgari

IPCC22-1115 51

Using Artificial Neural Network For Modeling of

Thermophisical Properties Of Carbon Quantum Dot based

nanofluids

S.A. M Mirsaeidi

IPCC22-1170 52

Excess Molar Volume of Ternary System of Ionic Liquids

Using Artificial Neural Network S.A. M Mirsaeidi

IPCC22-1208 53

Experimental and Computational Studies of Binary

Mixtures of Morpholine + Cis and Trance 2-

Methylcyclohexanol

Azim Soltanabadi

IPCC22-1220 54

Molecular Dynamics Simulations of the Structure the

Graphene–Dicationic Ionic liquid interface Azim Soltanabadi

IPCC22-1290 55

Viscosity of Ethane at Low and Moderate Densities Using

Corresponding States Correlations Shirin Karimi

IPCC22-1114 56

Molecular simulations adsorption of hydrogen sulfide,

carbon dioxide, methane and nitrogen and separation of

binary mixtures (H2S/CH4), (CO2/CH4) into NUM-3a

metal–organic frameworks

Azita Amouzad

Khaliliaa

IPCC22-1051 57

Surface interaction energy simulation of TiO2 and SiO2-

TiO2 layers with Epoxy resin

Marzieh

Sarafrazia

IPCC22-1049 58

Mathematical modeling of liquid phase equilibria for the

systems (water + phosphoric acid + linear alcohols) using

Khadigeh

Kazemi

IPCC22-1247 59



the GMDH-type neural network

Selective Ion Separation Using B-N Doped Graphene

Sheet

Maryam Kamal

Kandezi

IPCC22-1309 60

Calculation Young moduli for B-N doped and undoped

graphene sheet

Maryam Kamal

Kandezi

IPCC22-1310 61

Measuring and Modeling of Thermodynamic Properties of

Alkanol Amin

Tahereh

Daneshdar

IPCC22-1297 62

Densities and derived thermodynamic properties study for

the binary mixtures of (Ethyl methyl ketone, N,N-

Dimethylbenzylamine) at different temperature Maryam Kebriaei

Amjad

IPCC22-1179 63

Effect of choline lactate as novel green solvent on the

aqueous solubility of acetaminopehn Negar Oliya IPCC22-1230 64



30:91-00:91، ساعت 9328مرداد 30عصر چهار شنبه


Code

Poster

No.

New Insight into Ice Growth and Inhibition by Antifreeze

Protein: Atomistic Molecular Dynamics Simulation

Maryam Shahabi IPCC22-1241 1

The Mathematical Modeling of Open Cooling Tower and

the Effect of Air Humidity on Outlet Water Temperature

Mohammad

Firouz

IPCC22-1069 2

Adsorption of cefixime from aqueous solution using

Fenton process in presence of nanostructured magnetic

alginate composite and nanostructured alginate-

hydroxyapatite composite

Mona Nabizad

Gharani

IPCC22-1072 3

Comparison of the performance of chemical demulsifiers

in the separation of water emulsions in Iranian heavy crude

oils

Navvab Zamani

Nejad

IPCC22-1145 4

Investigation of Carbon Dioxide and Hydrogen Sorption in

ZSM-5 Using Grand Canonical Monte Carlo Simulation

Ardashir

Hassanzadeh

IPCC22-1103 5

Thermodynamic Modeling of Hydrogen Solubility in

[MDEA][Cl] Using Sanchez–Lacombe Equation of State

Fatemeh Sabzi IPCC22-1055 6

Solubility of Hydrogen Sulfide in 1-ethyl-3-

methylimidazolium

tris(pentafluoroethyl)trifluorophosphate

Fatemeh Sabzi

IPCC22-1099 7

Effect of 1,3:2,4-Bis (3,4-dimethylobenzylideno) Sorbitol

as a Nucleating Agent on Crystallization of Poly (3-

hydroxybutyric acid)

Maede Zamani IPCC22-1126 8

Removal of Direct Red Photocatalytic under Visible Light

Radiation by Magnetic Spinel CoFe2O4

Zahra Soudi IPCC22-1057 9

Synthesis of Magnetic Spinel CoFe2O4 by Hydrothermal

Method and Study of Photocatalytic Activity

Zahra Soudi IPCC22-1058 10

Enhancement electrochemical activity of Pt nanoparticles

toward methanol oxidation by using a new substrate

Javad Azizi IPCC22-1274 11

Synthesize of bimetallic nanocomposite on the polymeric

substrate for the electrochemical oxidation of methanol

Javad Azizi IPCC22-1273 12

Physical Properties of the Pseudo-Ternary System of Deep

Eutectic Solvent (Choline Chloride+ Glucose) + K2HPO4

+ Water

Mahdi Cheraghi

Iranshahi

IPCC22-1166 13

Physical Properties of Choline chloride+K3PO4+H2O

System

Elham Norouzi IPCC22-1014 14

Determination of Ion Activity Coefficients in Aqueous

Solutions of Mixed Electrolyte with a Common Ion:

NaNO3 + NH4NO3, NH4Cl + LiCl and KBr + KCl

Maryam Abedi

IPCC22-1140 15

Nanocomposite Decorated Glassy Carbon Electrode for

Simultaneous Determination of Dopamine and Uric acid

Zahra Alipour IPCC22-1283 16

Electrochemical Behavior Study of Flutamide in Aqueous

Solutions

Fatemeh

Zandiyan

IPCC22-1286 17

Experimental and Theoretical Analysis of the

Electrochemical Oxidation of 3,4-Dihydroxy-Cinnamic

Acid in the Presence of 2-Mercaptobenzimidazole

Amaneh Amani IPCC22-1185 18

Corrosion Behavior of Electrodeposited Ni-W-P-SiO2

Nanocomposite Coatings in NaCl Solution

Gholam reza

Allahgholipour

IPCC22-1198 19

Wireless Photoelectrochemical Degradation of Methylene

Blue Dye Using a NiCo2O4/Cu Photoelectrode

Tohid

Khanahmadlou

IPCC22-1151 20



Ion-ion and ion-solvent interaction studies on the ternary

system: KSalicylate+ Ethanol+ H2O by Potentiometric

Method

Mahsa Ghasemi IPCC22-1008 21

Diversity of mechanism in the electrochemical study of

different electrophiles in the presence of some thiol

nucleophiles: thermodynamic and mechanistic study

Faezeh Shirzadi IPCC22-1029 22

Experimental and computational study of the

electrochemical oxidation of some urazole species

Shadi Paziresh IPCC22-1015 23

Synthesis and Investigation of Electrochemical Activity of

Ni-Co/ poly (p-phenylenediamine) Catalyst Toward

Methanol Electrooxidation

Rozbeh Azinfar IPCC22-1056 24

Long-Term Activity of Pd-Co/rGO Nano-Catalyst in

Ethylene Glycol Electro-oxidation Reaction in Alkaline

Media

Somayeh Majidi IPCC22-1262 25

Electrochemical oxidation of some hydroquinone

derivatives in the presence of p-toluenesulfinic acid:

Thermodynamic and Mechanistic studies

Faezeh Shirzadi IPCC22-1030 26

Thermodynamic Study of 1-Butyl-3-Methylimidazolium

Bromide Ionic Liquid In Water + DMA Mixtures Based

On Conductometric Measurements

Faranak Haghani

Dogahe

IPCC22-1073 27

An investigation on specific conductivities of the ternary

KCl-[C_6 mim][Cl]-H_2 O system using semi-ideal

solution theory at 298.15 K

Parisa Ghasemi IPCC22-1007 28

Synthesize and Electrocatalytic Investigation of CuFe2O4

Nanostructures

Roghaieh

Mohammadi

IPCC22-1229 29

Application of Electroless nickel plating on AM60B

magnesium alloy via Ti-Zr/sol-gel composite layer as a

pretreatment

A. Babaei IPCC22-1193 30

Sol-gel auto-combustion synthesis of SnO2 Nanopowders:

Application in Electrochemical Studies

Alieh Babaei IPCC22-1232 31

Studying the Effect of Nitric Acid on the Physical

Chemistry Properties of the Prepared Extrudates Catalyst

Support from Boehmite Powder of Nephleensinite Ore

Mines

Jaleh Nazari IPCC22-1150 32

Investigating the Effect of Pantaoprazole for Corrosion

Protection of Mild Steel

Hossein

Tajabadipour

IPCC22-1251 33

Mechanism of Adsorption of Congo Red on the Surface of

Filter Paper in NaCl and 2-propanol Solutions

Muhammad Rafi IPCC22-1278 34

Silica Gel Dyeing by Adsorption of a Series of

Triphenylmethane Dyes on its Surface

Muhammad Rafi IPCC22-1280 35

Study of optical energy gap of AL-doped ZnO2

nanoparticles synthesized by sol-gel method

Javad Adabi

Firuozjaie

IPCC22-1298 36

Application of Persimmon Tree Leaf for Dye Removal Ghazaleh

Kouchakzadeh

IPCC22-1054 37

The Effect of Laser Polishing on Titanium Surface in

Nitrogen Media

Ensiyeh Shabanlu IPCC22-1304 38

Synthesis of new nanocomposite vanadium containing

phosphomolybdovanadate / polyvinyl alcohol as a

nanocatalyst for germination of barley seeds

Mohammad Ali

Rezvani

IPCC22-1258 39

Study of optical energy gap of Ag-doped ZrO2

nanoparticles synthesized by sol-gel method

Seyed Mohsen

Mahdavi

IPCC22-1005 40



Abandansari

An Experimental Approach to the Surface Properties of

Biodiesel Components and Their Mixtures with Some

Alcohols

Haleh Ghazipour IPCC22-1052 41

The Effect of Urea on Aggregation Properties of

Methylene Violet Dye

Aida Ghary

Haghighat

IPCC22-1010 42

The Investigation of Thermal Conversion of Spiropyran to

Merocyanine and its Derivatives Taibeh Rostami

IPCC22-1035 43

Chemical Ionization of Thiosemicarbazide; Ion Mobility

Spectrometry and Theoretical Calculations

Fahimeh Khouini IPCC22-1282 44

Investigation of Gas Phase Protonation of 2-

Mercaptobenzothiazole; Ion Mobility Spectrometry and

DFT calculations

Masoumeh

Ghahremani

IPCC22-1197 45

Experimental and Theoretical Investigation of 5-

aminoindole Chemical Ionization

Mahsa Yousefian IPCC22-1281 46

Theoretical study of intramolecular hydrogen bond on 2-

(2-Hydroxy phenyl)-5(4H)-Oxazolone halogenated

derivatives in ground state

Peyman

Mohammadzadeh

Jahani

IPCC22-1089 47

Multi-spectroscopy of the interaction behavior between

calf thymus DNA and Rebeccamycin in binary and ternary

approaches

Zohreh Malek

Esfandiyari

IPCC22-1064 48

Spectroscopic studies on the interaction of Rebeccamycin

with calf thymus DNA in the absence and presence of

Histone H1

Zohreh Malek

Esfandiyaria

IPCC22-1065 49

Biochemical Studies of A New Schiff Base Ligand and Its

Complex Containing 2-Thiophenecarboxaldehyde

BaharehNorouzne

zhad

IPCC22-1293 50

Optimization of deposition voltage for copper

electrodeposition on FTO from non-acidic solution

Siavash Jami

IPCC22-1287 51



30:90-00:99، ساعت 9328مرداد 39شنبه صبح پنج

title presenter Paper code Poster

No.

Antibacterial evaluation of some synthetic thiazole

compounds using the molecular docking study Hujjat Delarami

IPCC22-1125 1

Anticancer Activity Evaluation of Some 1-

hydroxynaphthalene-2-carboxanilide Derivatives Using the

Computational Methods

Hujjat Delarami

IPCC22-1124 2

Docking and virtual screening for determination of new

derivatives of anti-cancer drugs from quinazoline

compounds Elaheh Mousavi

IPCC22-1077 3

Computational Study of the Inhibition of HIV-1 Protease

by RNA Aptamer: Effect of the Form of Dimer and

Monomer in Protease

Marzieh

Ajamgard

IPCC22-1218 4

Effects Of Isoxsuprine On The Catalytic Activity Of

Catalase. Kinetics, Interaction Mechanism And Molecular

Docking Approach

Somayya

Shahraki

IPCC22-1222 5

Molecular Docking And Analysis Of Binding Interaction

Between Levothyroxine And Bovine Liver Catalase

Somayya

Shahraki

IPCC22-1224 6

Novel p21-Activated Kinase 4 (PAK4) and an effective in

vitro inhibitor Nafiseh salehi

IPCC22-1210 7

Evaluating Dopamine Targeting Drugs for Treatment of

Schizophrenia By Applying a Practical Java Tool Razieh Habibpour

IPCC22-1039 8

Generating the Supplementary Structure of Dopamine D2

Receptor Based on the X-ray Crystal Structure for

Molecular Modeling

Razieh Habibpour

IPCC22-1040 9

Endohedral and Exohedral adsorption of helium on

X12N12 (X = B, Al) nano-cluster: A DFT study Sanaz Kaveian

IPCC22-1291 10

Theoretical study on Solubility of vitamin C-adsorbed

carbon nanotube and graphene in some organic solvents Sanaz Kaveian

IPCC22-1292 11

Interaction of Polyphenols with Nerve Growth Factor: A

Docking Studies

Vahideh

Pourghasem

IPCC22-1137 12

Studying the interaction of phosphodiesterase inhibitors in

the treatment of Alzheimer's disease

Raheleh Rahbar

Kahkha

IPCC22-1047 13

Interaction of Superparamagnetic Iron Oxide Nanoparticles

with Bovine Alpha-Lactalbumin Marzieh Moeeni

IPCC22-1162 14

Spectoscopic Study of the Interaction of Trans_Aco Base

(curcuminato) Exo Zirconium IV Hydrat and Curcumin

with Bovine Serum Albumin

Afsaneh Askari

IPCC22-1088 15

Spectroscopic Study of the Interaction of Trans_Aco Base

(curcuminato) Exo Zirconium IV Hydrate and Curcumin

with DNA

Mojgan Biuki

IPCC22-1242 16

Spectroscopic Study of the Interaction of Trans Aco Base

(curcuminato) Exo Zirconium IV Hydrate and Curcumin

with Human Serum Albumin

Zahra Shabanzade

IPCC22-1082 17

Effect of different concentrations of 1-Butyl-3-

methylimidazolium bromide on activity and structure of

Chloroperoxidase: Molecular Dynamics Simulation

Maryam

Ghorbani

IPCC22-1168 18

Selective sensing of Fe3+ and Al3+ over mixed metal ions

using functionalized microporous MOF as a new Hossein Shayegan

IPCC22-1202 19



fluorescent probe

Thermal stability improvement of tyrosinase in the

presence of spermine Hassan Faridnouri

IPCC22-1186 20

Direct electron transfers study of immobilized tyrosinase

using the modified glassy carbon electrode by MWCNT/

poly (aniline-co-metha phenylene diamine) composite

Samira Seyed

Somarin

IPCC22-1226 21

Binding interaction of disperse azo dye with bovin serum

albumin by spectroscopic techniques Samaneh Shakeri

IPCC22-1095 22

Insights into the Binding of Cafaminol to Human Serum

Albumin: Multi-Spectroscopic and Molecular Modeling

Studies

Negar Parvizi

IPCC22-1277 23

Electrochemical Evaluation of Antioxidant Activity and

Herb-Herb Interaction of Iranian Echium amoenum Fisch

and Citrus aurantifulia aqueous extracts

Amaneh Amani

IPCC22-1154 24

Inclusion Complexes between (α-, β- and γ-) cyclodextrins

as a nanocarriers with serotonin: Molecular Docking and

Molecular Dynamics simulation

Fatemeh

Fateminasab

IPCC22-1209 25

Thermal Efficiency for a Curzon and Ahlborn Engine Mehrdad Bamdad

IPCC22-1228 26

Propranolol removal from aqueous solution using ionic

liquid-LDH nanocomposite Fateme Noorni

IPCC22-1074 27

Naproxen removal from aqueous solution using 〖Fe〗_3

O_4-PEI-GO nanocomposite Fateme Noorni

IPCC22-1075 28

Novel Cu2O/Cu-MOF/rGO is reported as Highly Efficient

Catalyst for Reduction of 4-Nitrophenol Farshad Mirzaee

IPCC22-1263 29

Noble Metal Nanoparticles Supported on Ni Promoted

MoS2 as an Efficient Catalyst for p-Nitrophenol Reduction Farshad Mirzaee

IPCC22-1264 30

Fabrication and Investigation of an Easy-to-Prepare Highly

Sensitive Temperature Sensor Based on Epoxy

Resin/Copper (II) Oxide Nanoparticles/ MWCNTs

Nanocomposite

Amin Norouzi

IPCC22-1070 31

Fabrication and Investigation of an Easy-to-Prepare

Extremely Sensitive Resistive-Type Humidity Sensor

Based on Epoxy Resin/MWCNTs Nanocomposite

Amin Norouzi

IPCC22-1071 32

Application of MCM-41/CuO for Oil Pollutions Treatment:

Optimization Process Based on Taguchi Design Method

Masomeh

Rahmati

IPCC22-1276 33

Synthesis Palladium Nanoparticles by Laser Ablation and

Deposition on Carbon Cloth Shohreh karami

IPCC22-1285 34

Unexpected Electronic and Conductive Properties of

Aniline/CONH2-SWCNT Binary Nano-combination for

Use as Counter Electrode

Sara Naseh

IPCC22-1066 35

Self-assembly and DNA Binding of Cationic Gemini

Amphiphiles: A Biophysical Study Samin Davoodi

IPCC22-1180 36

Green synthesis of silver nanoparticles using Garlic extract

and evaluation of antibacterial activity Zaman nasrnia

IPCC22-1217 37

Exploring the effect of surface functionalization of

superparamagnetic iron oxide nanoparticles (Fe_3 O_4) on

the interaction with BLG

Zahra.Kavianfar

IPCC22-1296 38

H2 and CO2 Adsorption on Zeolitic Imidazolate

Framework-1: GCMC Simulations Atefe Dovlatabadi

IPCC22-1203 39



Synthesize of Carbon Nanoparticles by Fiber Laser

Ablation of Activated Carbon in Water

Hamed Ghanbari

Gol

IPCC22-1305 40

Study and investigation TCTA as a hole transport layer in

the organic light-emitting diode

Saleh fallah

samakosh

IPCC22-1279 41

Production of Carbon Nanotubes by Chemical Vapor

Deposition Method

Muhammad

Shadman

IPCC22-1196 42

Improvement of electrocatalytic performance of graphene

with Germanium (Ge) heteroatom for oxygen reduction

reaction

Nafiseh

mohammadirad

IPCC22-1139 43

Application of Taguchi Method for Investigation the

Removal Ability of Oil Pollution by Zeolite/Copper Oxide

Nanocomposite

Mina Kamania

IPCC22-1267 44

Sono-synthesis of CuxO/Fe2O3/MoC nano-hybrid:

evaluation of digital camera as portable colorimetric device

for low cost detection of organic dyes in water media

Tahereh Rohani

Bastami

IPCC22-1004 45

The production of protein absorbing suture( yarn )from

casein (milk) by means of nanotechnology

Morteza

Ebrahimnezhad

IPCC22-1199 46

The application of isotactic polypropylene fibers in the

production of fiber reinforced concrete with the help of

nanotechnology and the effect of electrical induction

compared to carbon fiber and polypropylene fibers,

cynodeoctatic and otactic

Morteza

Ebrahimnezhad

IPCC22-1288 47

A Novel ZnO/BiFeO3 Photocatalyst for Highly Efficient

Visible Photocatalytic Performance

Nilofar

Foghahazadea

IPCC22-1119 48

Titanium decorated graphdiyne as a hydrogen storage

medium Soha Shamae

IPCC22-1046 49

Computational Study of Electric Dipole Moment and

HOMO–LUMO Gap Energy of Some Isovalent

functionalized (5, 0) Zigzag carbon nanotube

Hossein

Mostaanzadeh

IPCC22-1142 50

DFT Investigation of Inhibitive Behaviour of Some

Phenylurea Derivatives on Steel corrosion

Hossein

Mostaanzadeh

IPCC22-1143 51

Electronic and structural properties of Sc decorated

graphdiyne toward hydrogen adsorption Mona Akbari

IPCC22-1037 52

Modification of graphdiyne by vanadium single atom to

promote hydrogen adsorption Mona Akbari

IPCC22-1038 53

The adsorption behaviors of phenol on the surfaces of

pristine and M-encapsulated B38 borofullerene: DFT

investigation

Masomeh

Keyhanian

IPCC22-1266 54

A theoretical investigation on interaction of deposited B38

borofullerene on bowl-shaped B36 cluster

Masomeh

Keyhanian

IPCC22-1246 55

N and Al doped Graphene as nano catalyst for Hydrogen

Production Milad Ghanbari

IPCC22-1128 56

Electronic transport of molecular nanowires Mahnaz Roohi IPCC22-1175 57

Taguchi Design for Indole Remove on CuO loaded Zeolite

MCM-41

Samira Amiri

Khoshkarvandani

IPCC22-1271 58

Surface Tension of Imidazolium-based Ionic Liquids from

Simulation Study Sahar Naderi

IPCC22-1201 59

Molecular Dynamics Simulation Study on the Interaction

of Apo-Transferrin with Neomycin Elaheh

Mohammadinezh

ad

IPCC22-1231 60

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91 30-91 00 تعاس ، 9328 دادرم 92 هبنش هسphyschem22.ir/Areas/Panel/Hamayesh/1/Files/f2b4124d-ce49-463b-a924... · Thermal Expansion Coefficient of sI Clathrate Hydrates