List of Participant - ICCST-2

The 2nd International Conference on Computation for Science and Technology (ICCST-2)
List of Participant
Name Surname
Country
University
Title
Preference of
Participation
Prof. Dr. Majid Monajjemi
Prof.
Dr.
Ziya
Burhaneddin
Iran
Turkey
IAU
Çankaya University
Güvenç
Prof. Dr. İsmail Yalçın
Turkey
Ankara University
Plenary
A Novel Concept of BnNn Nano Molecular Motor Rings as a Bio Molecular
Lectures
Detectoer
Plenary
Computational Studies on Atom/Molecule Interactions with Crystal/Cluster
Lectures
Surfaces
Plenary
Computational Methods in Rational Drug Design
Lectures
Prof. Dr. Toshihiko Kobayashi
Japan
The University of Tokyo
Plenary
Global Trends of Pharmaceutical Industry and Drug Discovery
Lectures
Prof. Dr. Alamgir Hossain
United
Northumbria University
Kingdom
Prof. Dr. Fatma Kandemirli
Turkey
Nigde University
Plenary
Computational Intelligence for Medical Applications with a Focus to Cancer
Lectures
Informatics
Plenary
Lectures
Prof. Dr. Eno Ebenso
South
North West University
Africa
Dr. Supat JIranusornkul
Thailand
Chiang Mai University
Plenary
Theoretical and Experimental Studies on Some Furfural Aldehyde Derivatives as
Lectures
Corrosion Inhibitors for Mild Steel in Acidic Medium
Invited
Improving the Binding Affinity of a Designed Zinc Finger Protein by Molecular
Dynamics Simulation
Lectures
Prof. Norio Matsushima
Japan
Sapporo Medical University
Invited
Molecular Evolution of Toll-like Receptors
Lectures
Prof. Habibah A wahab
Prof. Khairurrijal Khairurrijal
Malaysia
Indonesia
Universiti Sains Malaysia
Bandung
Institute
of
Technology
Prof. Daryono Hadi Tjahjono
Indonesia
Bandung
Institute
of
Invited
Rational Drug Design of Peroxisome Proliferator-Activated Receptors-γ
Lectures
Activators Toward the Treatment of Type II Diabetes Mellitus
Invited
A Computational Study of Electron Direct Tunneling Current in TiNx-HfSiOxN-
Lectures
SiO2-Si(100) High-K MOS Capacitors
Invited
Prof. Naoki Yoshioka
Prof. Philippe A. Bopp
Japan
France
Technology
Lectures
Keio University
Invited
Computational Study of Magneticproperties of Self-Assembled Open-Shell
Lectures
Molecular Systems
Invited
Molecular Simulations as a Unifying Tool in Physics and Chemistry
Universite de Bordeaux
Lectures
Prof. Dr. Zoran Markovic
Serbia and
State University of Novi Pazar
Montenegr
Prof. Luís Pinto da Silva
Portugal
Invited
Investigation of the Hat and Set-Pt Antioxidative Mechanisms of Quercetin
Lectures
University of Porto
Invited
TD-DFT/MM Studies of the Firefly Bioluminescence Phenomenon
Lectures
Assoc. Prof. Dr. Özgür Alver
Assist. Prof. Dr. İsmail Hakkı
Turkey
Turkey
Anadolu University
Afyon Kocatepe University
Sarpün
Assoc. Prof. Dr. Jørgen Houe
Experimental
and
Theoretical
Vibrational
Lectures
Conformations of Nocodazole
Invited
Computational Methods in Nuclear Physics
Analyses
and
Molecular
Lectures
Denmark
Aalborg University
Invited
Pedersen
Prof. Hermawank. Dipoyono
Invited
A Computational Chemistry Study of Atrazine
Lectures
Indonesia
Bandung
Institute
of
Technology
Invited
Photocatalytic Mechanism and Properties of TIO2 Anatase Doped with Nitrogen
Lectures
and 3D-Transition Metals: A Density Functional Theory Based Computational
Study
Prof. Dr. Esin Akı
Turkey
Ankara University
Invited
Structure Based Drug Design Methods
Lectures
Prof. Harno Dwi Pranowo
Assoc. Prof. Dr. Nina Tuncel
Indonesia
Turkey
Universitas Gadjah Mada
Akdeniz University
Invited
Selectivity of Crown Ether to Some Metal Cation: Molecular Modeling Based on
Lectures
AB Initio Methods
Invited
The Computational Methods in Medical Physics
Lectures
Yrd.Doç. Dr. Cihan Parlak
Turkey
Abant İzzet Baysal University
Invited
Magnetic, Electronical and Lattice Dynamical Properties of Iron-Based
Lectures
Superconductor CeFeAsO from First Principles
No
Name Surname
Country
University
Title
Preference of
Participation
p-9
Nurettin Korozlu
Turkey
Erzincan University
Poster
The Structural and Optical Properties of GdPdBi Compound
p-10
Lutfiye Aydin
Turkey
Erciyes University
Poster
Density Functional Theory(DFT) of Aminopyrimidines
Poster
Conformer Analysis of 4-methyl-n-[2-oxo-4-(4-methylphenyl)-5-(4methylbenzoyl)pyrimidin-1(2h)-yl]benzamide
p-15
Mustafa Böyükata
Turkey
Bozok University
Oral
Effect of Single Metal Doping on Size Dependent Structural And
Energetic Changes of Boron Clusters: DFT Study
p-17
Servet Kurt
Turkey
Bozok University
Oral
The Structure and Stability of Rebn (N=1-15) Clusters
p-18
Jutti Levita
Indonesia
Universitas Padjadjaran
Oral
A Molecular Modeling Study of PPAR- γ modulators
p-23
Resmi Mustarichie
Indonesia
Universitas Padjadjaran
Oral
The Study of the Interaction of Quercetin and Casticin with H4r,
Anti-Inflammatory Receptor, as Supporting Data for AntiInflammatory Herbal Medicine
p-24
La ode Aman
Indonesia
Universitas Negeri gorontalo
Oral
Molecular Docking of 2-aminothieno[2,3-D]pyrimidine Derivatives
as Hsp90 Inhibitor
p-25
Şevket Arda Atılgan
Turkey
Bozok University
Poster
Structural and Energetic Analysis of C8H10N2O4 Molecule and Its
Water Conjuncted Complexes: a Computational Study
p-26
Ülkü Dilek Uysal
Turkey
Anadolu University
Poster
A Semi-Empirical and DFT Study of 2,2/,3,4-Tetrahydroxy-3/-sulpho
azobenzene Derivatives and Their Zirconium Complexes
p-28
Bertan Beylergil
Turkey
Nigde University
Oral
Effects of Mechanical Properties on Free Vibration Characteristics
of Adhesively Bonded Double Containment Joints
Oral
Optimal Design of Textile Composite Cantilever Beams with Cutouts
for Maximum Lateral Buckling Load
p-30
Suha Orçun Mert
Turkey
Ege University
Oral
Genetic Algorithm Based Multi-Objective Optimization for Fuel
Cell Applications
p-31
Battal Gazi Yalcin
Turkey
Sakarya University
Poster
A Study on Electronic Structure and Density of State for III-V
Semiconductor Alloys
p-32
Halil Arslan
Turkey
Sakarya University
Oral
Investigation of the Zenith Angle Dependence of Cosmic Muons at
Sea Level by Geant4 Simulation Package
p-33
Asif Ali Shaikh
Pakistan
Mehran University
Oral
Comparision Through Finite Element Simulation of Newtonian and
Non-Newtonian Fluids Past an Irregular Obstacle
p-38
Svetlana Markovic
Serbia and
University of Kragujevac
Poster
Diradicals and Singlet Diradicals
Universitas Padjadjaran
Oral
Virtual Screening for Anti-Estrogenic Activity Onto MCF7 Cell
Montenegr
p-43
Muchtaridi Muchtaridi
Indonesia
Inhibition Using Three-Dimensional Pharmacophore Modeling and
Molecular Docking Simulation
p-44
Ida Musfiroh
Indonesia
Universitas Padjadjaran
Oral
Study of Asiatic Acid as Anti-Inflammation: Molecular Docking
Simulation and Pharmacophore Analysis
p-45
Wiwiek Indriyati
Indonesia
Universitas Padjadjaran
Oral
Anti-Inflammatory Activity of Kaemperia galanga L. Rhizome and
Ethyl P-Methoxycinnamate Interaction Into Cyclooxygenase-2
(COX-2) Using Molecular Docking Simulation
p-48
Fatmawati Adam
Malaysia
Pahang University of Malaysia
Oral
Molecular Recognition of 2,6-Dihydroxybenzoic Acid Polymorph in
Ethanol, Methanol and p-Xylene Solution
p-49
M. Sulaiman Zubair
Indonesia
Tadulako University
Oral
Investigation of Anticancer Molecular Targets from Lunasia amara
Alkaloid Compounds by Docking Simulation
p-50
Muhammad Arba
Indonesia
Bandung
Institute
of
Oral
Technology
p-51
S. Ebru Özdal
Turkey
In Silico Study of the Binding Mode of Cationic PorphyrinAnthraquinone Hybrids To Dna Duplexes
Gaziantep University
Poster
QSAR Studies for Treatment of Obesity of Synthesized Carbazole
Derivatives as NPY Y1 Antagonists
p-52
Ruslin Ruslin
Indonesia
Bandung
Institute
of
Oral
Technology
p-53
Bashar Mudhaffar Abdullah
Malaysia
National
Compound for Anti Cancer Agent
University
of
Oral
Malaysia
p-54
Güzide Pekcan Ertokuş
Turkey
In Silico Study of a Leonurine-Arginine Derivative as a Lead
Suleyman Demirel University
Gas Chromatography Analysis of Separation Linoleic and Oleic
Acids
Poster
Determination of the Colorants in Various Samples by Chemometric
Methods Using Computational Chemistry
p-57
Muhammad Aswad
Indonesia
Hasanuddin University
Oral
Molecular Docking Study of Alfa Glucisidase with Quercetin
Derivatives
p-58
Volkan Türkmen
Turkey
Gaziantep University
Oral
Computer Design & Theoretical Investigation of Flavonoids
Derivatives as Anticancer Drugs
p-59
Mehmet Üstündağ
Turkey
Sakarya University
Poster
A Study on the Band Structure of III-V Semiconductor Compounds
by Using k.p Method
p-60
Şahin Ünlüer
Turkey
Nigde University
Poster
Origin of the Phase Transition in Core-Surface Nanoparticles
Poster
Temperature Evolution of Magnetic Properties of Nanostructured
Multilayer Films
p-62
Elrasheed
Ismail
Mohommoud
Turkey
Cukurova University
Oral
Zayid
Computing and Estimating the Performance Measures of a Message
Passing Multiprocessor Architecture by Using Artificial Neural
Networks
p-63
Özlem Mıhçıokur
Turkey
Erciyes University
Poster
Conformational Analysis and Vibrational Study of N-{3-chloro-4[(3fluorobenzyl)oxy]-phenyl{-6-[5-({[2-(methylsulfonyl)ethyl]amino
{methyl)-2-furyl]-4-quinazolinamine
p-64
Hatice Arı
Turkey
Bozok University
Poster
Theoretical and Vibrational Analysis of Glycylglycylalanine as a
Part of Spider Silk Protein
Poster
Conformational Stability, Theoretical and Vibrational Spectroscopic
Investigation
of
2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-
dimethoxybenzoicacid
p-65
Talat Özpozan
Turkey
Erciyes University
Poster
A Density Functional Theory(DFT) and Vibrational Study of N,N'Ethylenebis(Pyridoxylideneiminato) with Mn(III) Complex
p-66
Halil Gökce
Turkey
Suleyman Demirel University
Poster
The Molecular Structure, Spectroscopic Properties and Quantum
Chemical
Calculations
methylbenzoxy)benzyliden
of
3-methyl-4-[3-methoxy-4-(4-
amino]-4,5-dihydro-1H-1,2,4-triazol-5-
ones Molecule
Poster
The Molecular Structure, Spectroscopic Properties and Quantum
Chemical
Calculations
of
1-Acetyl-3-methyl-4-[3-methoxy-4-(4-
methylbenzoxy)
benzylidenamino]-4,5-Dihydro-1H-1,2,4-triazol-5-
ones Molecule
p-67
Sophi Damayanti
Indonesia
Bandung
Institute
of
Oral
Technology
p-69
Rahmana Emran Kartasasmita
Indonesia
Bandung
Interaction Study of O-Desmethylquinine as a COX-2 Receptor
Inhibitor
Institute
of
Oral
Technology
Reactivity and Stability Studies of Antioxidants TBHQ, BHT AND
BHA Applying PM3 Computational Method
p-70
Demet Karadeniz
Turkey
Ankara University
Poster
Quantum Mechanic Studies of Some Substituted Thiophenes
p-71
Gökhan Şirikçi
Turkey
Ankara University
Poster
Quantum Chemical Studies of Some Chromen Derivatives
p-73
Mehmet Ali Güzel
Turkey
Nigde University
Poster
The Effects of Long Time Sintering on Vicker’s Hardness
Measurements of the High Temperature Superconductors
Poster
Comparison Effects of Magnetic Levitation
p-75
Gözde Selin Coruk
Turkey
Ankara University
Poster
Theoretical Calculations of the Synthesis of Pyridazine-Pyrroles
p-76
Engin Ateşer
Turkey
Aksaray University
Oral
AB Initio Study of Palladium Carbide (PdC) Compound
p-77
Pervin Ünal Civcir
Turkey
Ankara University
Poster
Electrophilicity Index of Substituted Furans
p-78
Taner Tanriverdi
Turkey
Nigde University
Oral
The Preliminary Abundance Results of the Supergiant, HD 800257
(AI Ib) with UVES Spectra
p-79
Sabahattin Akbaş
Turkey
Gazi University
Poster
Symmetry Properties of Even-Even Deformed 156-164Dy Isotopic
Nucleus by Using Collective Excitation Modes
p-80
Hacı Özışık
Turkey
Aksaray University
Oral
AB Initio Calculations on Yttrium Sesquioxide (Y2O3)
p-81
Gülay Günday Konan
Turkey
Sakarya University
Poster
Correlation and Relativistic Effects on the Level Structure of
Negative Ions of Atoms with Half-Filled p Shell
p-83
Rahele Hasani
Iran
Islamic Azad University
Oral
Nanotechnology Approach on Anticancer Properties of Consolida
Sp.: the Study of NBO (Natural Bond Orbital)
p-84
Burçin Türkmenoğlu
Turkey
Erciyes University
Poster
4D-QSAR Study of Sodium Channel Blocker Activity of 3aminopyrroles Using MCET Method
p-85
Reza Rasoolzadeh
Iran
Islamic Azad University
Oral
Comparison Free Energy Binding Sites Neuraminidase in Different
Dielectrics &Tempreatures ,Using Molecular Dynamic and Monte
Carlo for Nano Drug Design
Oral
Studies of Molecular Modeling on Drug Design of Amino Acids
Involved with Influenza (H1N1) Neuraminidase Using QM/MM
Methods
Poster
Nano Study of TSGA10 Protein Structure ,Using Molecular
Mechanics Methods
p-86
Mine Balcı
Turkey
Suleyman Demirel University
Poster
The Auto-Ionization Process of HNO3 in Water Clusters
p-87
Çağrı Çırak
Turkey
Erzincan University
Poster
Computational Study on the Adsorption of H2 ON ZnO Nanorod
p-89
Rina Herowati
Indonesia
Universitas Setia Budi
Oral
In Silico Glycogen Phosphorylase Inhibitory Activity of Tinospora
Cordifolia Chemical Constituents
p-90
Hasan Özsoy
Turkey
Suleyman Demirel University
Poster
Theoretical Investigation of the Hydrogen Bonded (HNO3)...(X)m
(X=H2O, CH3OH ve m=1-2) ClusterS
p-91
Mehmet Bora Çiçek
Turkey
Suleyman Demirel University
Poster
An Investigation of Semi-empirical Methods of Molecular Cluster of
X…(H2O)n (n=1-2, X=DME,EO,TMO,THF)
p-92
Zafer Maslakçı
Turkey
Suleyman Demirel University
Poster
Comparison
of
Classical
and
Nonclassical
Infrared-Band
Frequencies for Clathrate Hydrates of Ethers with HCN, SO2 and
C2H2 as Small Cage Guests
p-93
Nevin Uras-Aytemiz
Turkey
Suleyman Demirel University
Oral
Theoretical Techniques for Some of the Atmospheric Problems
p-94
Mehmet Çadır
Turkey
Erciyes University
Poster
The Reactions of Some Pyrazole-3-carboxylic acid chlorides with
Various Hydrazides
p-95
Ercan Demirtaş
Turkey
Osmangazi University
Poster
Investigation of the Substituent Effect on Electronic Structure, Band
Gap, Ultraviolet (UV) Spectrum for Neutral, Monocationic and
Dicationic Form of Polyfuran Conducting Polymers
Poster
Regression Analysis for Polyfuran Conducting Polymers; Prediction
of Band Gaps
p-96
Taner Arslan
Turkey
Osmangazi University
Poster
A Theoretical Study on Some Polyfuran Conducting Polymers
p-97
Halil Berber
Turkey
Anadolu University
Poster
Certain
Theoretical
Calculations
of
Substituted
4-
(phenyldiazenyl)benzene-1,3-diol Derivatives and Investigation of
Correlations with Those Experimental Values
P98
Zeynep Çimen
Turkey
Erciyes University
Poster
Synthesis and Quantum Chemical Calculations of Some Novel 2Oxopyrimidin-1(2H)-yl-Amides Derivatives
p-99
Mudasir Mudasir
Indonesia
Gadjah Mada University
Oral
Design of New Insecticides of Organophosphate Derivatives Based
on QSAR Analytical Model
p-100
Nasarul islam Rather
India
University of Kashmir
Poster
Antimicrobial Activity Assessment of Certain Anilide Derivatives; a
DFT Study
p-101
Murat Alper Başaran
Turkey
Akdeniz University
Oral
Theoretical and Experimental Studies on Some Furfural Aldehyde
Derivatives as Corrosion Inhibitors for Mild Steel in Acidic Medium
Oral
p-105
Kadriye Kayakırılmaz
Turkey
Nigde University
Comparision Study of Classic QSAR and Fuzzy QSAR
Accompanying
Participant
p-108
Yadigar Gülseven Sıdır
Turkey
Bitlis Eren University
Poster
Determination on Tautomeric Equilibrium Constants (KT) and Acid
Dissociation Constants (pKa) of Some Benzothiazolon Derivatives
Poster
QSAR Study on Biological Activity of Some 5,8-Quinolinequinones
Derivatives
p-109
Demet Özkır
Turkey
Nigde University
Poster
Quantum Chemical Aspects on the Inhibition Effect of Azure C
Poster
Theoretical Approach on the Inhibition Effect of a Newly
Synthesized Schiff Base on Mild Steel in 1.0 M HCl
p-113
Eno Ebenso
South
Africa
North West University
Poster
Quantum Chemical Investigations on Quinoline Derivatives as
Effective Corrosion Inhibitors for Mild Steel in Acidic Medium
p-116
p-117
Amir Poorsadeg Zadeh Yeganeh
Sema Şahin
Turkey
Turkey
Çukurova University
Gazi University
Oral
A Novel Swarm-Based Approach To Color Quantization
Oral
Two Dimensional Shape Allocations with Artificial Bee Colony
Poster
First Principes Studies of Elastic and Thermodynamic Properties of
the Ternary Chalcopyrite Semiconductors CuAlX2 (X = S, Se, Te)
p-122
Yusuf Akkaya
Turkey
Nigde University
Poster
Reaction Mechanism Study of Isatin Thiosemicarbazone Derivatives
p-124
Urwatul Wutsqa Dhoriva
Indonesia
Yogyakarta State University
Oral
Modeling Islamic Lunar Calendar Effect in Tourism Data of
Prambanan Temple by Using Neural Networks and Fuzzy Models
p-127
Nathir Al-Rawashdeh
United
United
Arab
University
Arab
Emirates
Poster
Properties
Emirates
p-128
Moussab Harb
Beyza Sarıkavak Lişesivdin
Kingdom
KAUST
of Saudi
Center
Turkey
of
Ru(diimine)2(thioether)
Complexes
on
Ligand
Substituents: TDDFT Computational Study
Catalysis
Research
Oral
Visible-Light Responsive N- and C-Doped TiO2 Photocatalysts: DFT
Insights on the Chemical and Electronic Origin of the Optical
Arabia
p-131
Dependence of Spectroscopic, Electrochemical, and Excited-State
Improvement in the Visible Region
Gazi University
Poster
Pressure-Depended Elastic, Electronic and Optical Properties of
La2O3 from First Principles Calculations
Poster
First Principles Study of Interaction Between Ru and Graphene
Nanoribbons
p-133
Mehmet Tarık Atay
Turkey
Nigde University
Oral
The Semi-Analytical Solutions for Stiff Systems of Ordinary
Differential Equations by Using Variational Iteration Method and
Modified Variational Iteration Method
with Comparison To
Exact and Runga-Kutta Solutions
Oral
The Semi-Analytical Solutions for HIV and Fatal Disease Models
by Using Variational Iteration Method and Modified Variational
Iteration Methods
p-134
Morteza Vahedpour
Iran
University of Zanjan
Oral
Gas Phase Mechanistic Study on the of Ozone and HS Radical
Reaction
Oral
Computational Study on the Mechanism of the Gas Phase CO and
HO2 Reaction
p-135
A. Ali Gürten
Turkey
Korkut Ata University
Poster
Inhibition Effect of ALS Molecule on Mild Steel in Acidic Solution:
Experimental and Theoretical Study
p-136
Esra Sengün
Turkey
Nigde University
Poster
Theoretical and Experimental Studies on Some Thiosemicarbazide
Derivatives the Corrosion of Mild Steel in Hydrochloric Acid
p-138
Fikrican Dilek
Turkey
Nigde University
Poster
Bent Rule: Theoretical Studies of PCl5, PCl4Br, PCl3Br2, PCl2Br3,
PCl4Br
p-139
Dilan Balcı
Turkey
Nigde University
Poster
Calculation of Potential Energy Curves of H (And H+) over the
Pt(111) and Pt(100) Surfaces with Using Density Functional
Methods: Analyzing and Comparing of Effects of the Surface
Structures and H+
p-140
Arzu Ekinci
Turkey
Siirt University
Poster
Investigation of N,N’ – Ethylenebis (salicylideneimine) – 1,8 –
diamino octane Schiff Base Derivative with
1
H-NMR and
Computational Studies
p-141
Fatemeh Azarakhshi
Iran
Islamic Azad University
Poster
Ab Initio Study and NBO Analysis of Conformational Propertiess of
2-Substituted
Nanocyclohexane-1,3-diones
and
Its
Analogues
Containing S and Se Atoms
Poster
Resonance Energies Effects on the Conformational Behaviors of 2,6Disubstitued Cyclohexanone and Their Analogous Containing S and
Se Atoms. A Hybrid-DFT Study and NBO Interpretations
p-142
Elham Pournamdari
Iran
Islamic Azad University
Poster
Theoritical Investigation on NBO Analysis, IR Data and NMR
Spectra of (GaN) 4 Nanosemiconductors
Oral
Ab Initio Study of Thermodynamic Properties, IR Spectra and NBO
Analysis of Cu4O3H2 Nanosemiconductor
p-144
Mohammad Mousavi
Iran
Islamic Azad University.
Oral
Investigated of Microtubule Inhibitors Vinblastine and Vincristine
by DFT, Ab Initio and Møller–Plesset Theory
p-145
Najam Naqvi
China
Northwestern
Polytechnical
Oral
Mathematical Modeling and Analyses of Short Baseline GNSS Based
Attitude Determination of Satellite
Oral
Design, Mathematical Modeling and Simulation of Positioning
Algorithm
Experimental and Theoretical Study of Organic Azo Dye, Maxilon
University
p-146
Çiğdem Şahin
Turkey
Nigde University
Poster
Red Grl, as Corrosion Inhibitor for Mild Steel in 1.0 M HCl
p-147
Jamshid Najafpour
Iran
Islamic Azad University
Oral
Alkali Metal Cations/Crown Ethers (12c4 and 15c5) Complexes:
Charge Density Analysis
Oral
Atomic Origin of the Partial Molar Volume in Binary Mixtures
I. Carbon Disulfide-Acetone and Methanol-Ethanol
p-148
Burcu Malgaç
Turkey
Nigde University
Poster
Theoretical Study on Some Bis(Amino)Phosphine Derivatives
p-149
Tamer Kamış
Turkey
Sakarya University
Poster
Ab initio Calculation of the Electronic and Dynamical Properties of
the ZrC(001)-(1×1) Surface
p-150
Yunus Kaya
Turkey
Uludag University
Poster
Crystal Structure, Spectroscopic Investigations and DFT/TD-Dft
Studies of Palladium(Ii) Complex Containing Imine Oxime and
Carbonyl Oxime
p-151
Burcu Gürbüz
Turkey
Mugla University
Oral
A Numerical Approach for Solving Lane-Emden Type DifferantialDifference Equations
p-152
Ayşe Anapalı
Turkey
Mugla University
Oral
Numerical
Approach
for
Solving
Fractional
Bagley-Torvik
Equations
p-153
Ali Azarbar
Iran
Islamic Azad University
Oral
Adaptive Processing in Antenna Array Using One Single Snapshot
with Mutual Coupling
p-154
Boutebba Souheila
Algeria
Université de Jijel
Poster
Heat Transfer Modeling in Gas-Filled Lamp
p-155
İsa Sıdır
Turkey
Bitlis Eren University
Poster
Ab initio HF and DFT Computational Studies on Heptachlor
Poster
Structure-Activity Relationships for Novel Drug Precursor NSubstituted-6-Acylbenzothiazolon
Derivatives:
a
Theoretical
Approach
p-156
Salih Çınaklı
Turkey
Erciyes University
Poster
Synthesis, Characterization and Density Functional Theory Studies
of Novel Cu(II) and Ni(II) Complexes with Quadridentate Schiff
Bases
p-157
Nejla Özbey
Turkey
Bozok University
Oral
DFT Study of Cage PtxBy(CO)m (x+y≤6, m≤x+y) Complexes
p-158
Lokman Uludag
Turkey
Nigde University
Poster
Inhibitive Properties and Quantum Chemical Studies of 3methoxyphenyl-3-thiosemicarbazide on Mild Steel Corrosion in HCl
p-159
Eşe Akpınar Ergün
Turkey
Suleyman Demirel University
Poster
The Investigation of the Martensite Phase Transformation in Fe1xNix Alloys by Molecular Dynamics Simulation
p-160
Fatih Keçeci
Turkey
Nigde University
Poster
Fukui Functions of Benzene Derivatives
p-161
Şuayip Yüzbaşı
Turkey
Mugla University
Oral
A Shifted Legendre Approach with Residual Error Estimation for
Delay Linear Fredholm Integro-Differential Equations
p-162
Özgül İlhan
Turkey
Mugla University
Oral
On Morgan-Voyce Polynomials Approximation for Linear Neutral
Delay Differential Equations
p-163
Zohreh Jamali
Iran
Islamic Azad University
Oral
Computational Study of Inhibitor of BACE1 by AB initio and
Density Functional Theory
p-164
Hooria Seyedhosseini Ghaheh
Iran
Islamic Azad University
Oral
Bio-Nano Modeling of Carbon Nanotube Binding to Amino Acids
Using by Computational Method
p-166
Ali Reza Ilkhani
Iran
Islamic Azad University
Oral
Investigation on Electrical Properties of Single Walled Carbon
Nanotubes in Different Solvents: a Ab initio Study
p-167
Neslihan Kaya Kınaytürk
Turkey
Suleyman Demirel University
Poster
Molecular Structure, Vibrational Spectra, First Order Hyper
Polarizability, NBO and Homo-Lumo Analysis of 1-methyl-6-nitro1H-benzimidazole
p-168
Wahiba Kaabar
Algeria
Constantine University
Poster
Numerical
Fluid
Dynamics
Modeling
of
Ultraviolet
Water
Disinfection
p-170
Naghmeh Ezzati
Iran
Islamic Azad University
Oral
Nanomolecular Simulation of the Sodium and Potassium Channels
Proteins and Compare It,Using Qm/Mm Methods
p-171
Saharnaz Ahmadi
Iran,
Islamic Azad University
Oral
Nano Theoretical Studies of AQUAPORIN-4 (AQP4M23) with
Different Concentrations of Water
p-172
Gholam Hossein Shafiee
Iran
Islamic Azad University
Poster
Atomic Origin of the Partial Molar Volume in Binary Mixtures II.
Chloroform-Acetone and Benzene-Toluene
p-173
Roya Tati
Iran
Islamic Azad University
Oral
Anti Cancer Nano Biotechnology of Borago Officinalis and Ginger
Properties by Molecular Mechanic Methods
p-174
Arina Rahimi
Iran
Islamic Azad University
Oral
Thermodynamic Study Etravirine in Variouse Dielectrics by Density
Functional Theory and Ab Initio in Several Temperatures
p-175
Murat Saraçoğlu
Turkey
Erciyes University
Poster
Etm and Ann Study for Polysubstituted 2h-Pyran-2-Ones
p-176
Siti Hana Abu Bakar
Malaysia
University Malaysia Pahang
Oral
Molecular Dynamic Simulation for Patchouli Oil Extraction
Processes
p-177
Yasemin Çiftci
Turkey
Gazi University
Oral
The Investigation of Physical Properties of LaC2 Compound: First
Principles Study
p-179
Hamed Chegini
Iran
Islamic Azad University
Oral
Nuclear Magnetic Resonance Investigation of EV6, Etravirine,
Vinblastine and vincristine by Density Functional Theory (DFT)
p-180
Seyed Mohammad Shoaei
Iran
Islamic Azad University
Oral
Synthesis, FT-IR Spectra and DFT Calculations on Sterically
Congested 2,2-disubstituted indane-1,3-dione Derivatives
Oral
Digital Simulation of the Cyclic Voltammetry Study of the of
Catechols in the Presence of Dimethyl Phosphate
Poster
Density Functional Theory (DFT) Outlook of Biological Active Site
Junction to Single Walled Carbon Nano Tube
p-181
Yasaman Eftekhari
Iran
Islamic Azad University
Oral
Nano Molecular Extraction of Medicinal Plants; Such as Eryngium
Caeruleum Investigation of QM\MM Methods
p-182
Leila Kharghanian
Iran
Islamic Azad University
Oral
Ab initio Study of Carbon Nanotube Amino Functionaliezed Acid as
a Drug Delivery System
p-183
Emrah Gök
Turkey
Mugla University
Oral
Residual Correction of the Hermite Polynomial Solutions of the
Generalized Pantograph Equations
p-184
Mohammed Amin
Egypt
Taif University
Oral
Inhibition Performance and Adsorption Behaviour of Three Amino
Acids on Cold Rolled Steel in 1.0 M HCl – Chemical,
Electrochemical, Morphological and Theoretical Studies
p-185
Baltache Hadj
Algeria
Mascara University
Poster
Ab initio Calculations of Structural, Elastic, Magnetic and
Electronic Properties of Ferromagnetic CmP under Pressure
p-189
Mehmet Bulut
Turkey
Gaziantep University
Oral
Free Vıbratıon of Composıte Plates wıth Cut-outs
p-190
Hina Arshad
Pakistan
Institute of Space Technology
Oral
Design, modeling and simulation of j2 orbit propagator for
CUBESAT
Mathematical analyses of attitude estimation techniques for
p-191
Nima Karachi
Iran
islamic azad university
Oral
nanosatellites
Oral
Theoretical Investigation of Carbon Nanotube Binding to DNA and
its future prospects
p-192
Maryam Seyed Hosseini
Iran
islamic azad university
Oral
Computational Study of physical chemistry properties of B16 N16
nanotubs and nano tube field spliiting in B16N16-X (X=transition
metal ion)
p-193
Hamideh Yamola
Iran
islamic azad university
Oral
DFT Studies of Interaction between Main Group Metals and B9N9
Nanocone using by Electron Paramagnetic Resonance (EPR)
p-195
Mojgan Hosein Zadeh
Iran
islamic azad university
Oral
Invistegation of Jahn-Teller effect on(Cuf6)4- cluster by QM theory
p-196
Masoomeh Fadaean
Iran
islamic azad university
Oral
Investigated of gragh theory on carbon nanotubes by DFT
p-197
Nastaran Asghari moghadam
Iran
islamic azad university
Oral
Theoretical investigation of P53 structures and interactions
p-200
Anoosh Eghdami
İran
Islamic Azad University
Oral
Investigation of physicochemical properties of vinblastine as a
chemotherapeutic drug
p-201
Fereshteh Amiri Tavasoli
Iran
Islamic Azad University
Poster
Ab initio NMR Nano Comparative Stadies of Three Novels Nitro
Aryl Indole Kojic acid
p-203
Hajar Fathalizadeh
Iran
Islamic Azad University
Oral
Kinetic and thermodynamic study of translation property on
chemical drugs using by different compounds calix[4]arene
Poster
Quantum mechanical investigation of basis set effects on the NMR
chemical shielding tensors data of calix[4]arene
p-204
Elham Rastkhah
Iran
Islamic Azad University
Oral
Monte Carlo Simulation Investigation on Nanotube Carbon
properties of membranes: by the Monte Carlo Method
Poster
Langevin Dynamic Simulation Investigation on Nanotube Carbon
properties of membranes, using by molecular mechanics Method
p-205
Mahsa Zawari
Iran
Islamic Azad University
Oral
Langevin
Dynamic
Simulation
study
on
Nanotube
Carbon
properties of membranes, by QM/MM Method
Poster
Monte Carlo Simulation Investigation on Nanotube Carbon
properties of membranes with Computational Method
p-206
Anita Salamat
Irab
Islamic Azad University
Oral
Computatıonal Calculatıons for Fındıng Stable Modeles of F(Cnt) in
Combınatıon of Drugs
Poster
Study of Combination of Gleevec and SWCNTs in different pH for
Future Clinical Purposes
p-207
Behnaz Shahrokh
Iran
Ahvaz-jahad university
Oral
The Study Kınetıcs of the Thermal Decomposıtıon of Vınyl butyl
ether on the Mechanısm Formatıon of Hydrogen Brıdge by usıng of
quantum mechanıcs calculatıon metods and applıcatıon of
mathematıcal programs gaussıan, games and mm2
p-209
Maryam Ghorbani Rad
Iran
Islamic Azad University
Poster
Nanoparticles silica supported antimony pentachlorid (NPs SiO2SbCl5): a solid phase acidic catalyst for synthesis of
pyrazolopyranopyrazoles
p-212
Leila Afchangi
Iran
Islamic Azad University
Poster
p-213
Maryam Falahati
Iran
Islamic Azad University
Poster
p-214
Nasrin Zeighami
Iran
Islamic Azad University
Poster
Computational Simulation Studies on Multi-wall Nano-cell by
Monte Carol Method
Computational Study on Alcohol Nano Sensors in Combination
with Carbon Nanotube; A Monte Carlo and Ab Initio Calculations
Molecular Mechanics Simulation study on Nanotube Carbon
properties of membranes ,by MD/MM Method
p-215
Narges Najafloo
Iran
Islamic Azad University
Poster
p-219
Arezou Ejlali
Iran
islamic azad university
Poster
p-220
Ahmad Alaei
Iran
islamic azad university
Poster
Computational Nano Study on Structure and Dynamics of Na and
Ca channels proteins
Thermodynamic and Bioinformatics Study of Insulin uptake to Skin
by Micro Calorimeter and QM/MM Methods
Simulation and Study of Water and Ions from Neuronic Cell
Membranes by AQP5 BY QM/MM