July 09, 2012 08.00-09.00 Registration of Participants - ICCST-2

July 09, 2012 08.00-09.00 Registration of Participants - ICCST-2

08.00-09.00
09.00-10.00
10.00-10.30
Chairman I
Prof. Dr. Fatma
Kandemirli
July 09, 2012
Registration of Participants
Opening Ceremony
Place: Conference Room 1
Plenary Lecturer
Prof. Dr. Majid Monajjemi
(Islamic Azad University)
A Novel Concept of BnNn Nano Molecular Motor Rings as a Bio Molecular Detectoer
Chairman II
Prof. Daryono Hadi
Tjahjono
10.30-11.30
11.30-12.00
Break
Chairman I
Prof. Daryono Hadi
Tjahjono
Plenary Lecturer
Prof. Dr. Ziya Burhaneddin Güvenç
(Çankaya University)
Computational Studies on Atom/Molecule Interactions with Crystal/Cluster Surfaces
Chairman II
Prof. Dr. Fatma
Kandemirli
12.00-13.00
13.00-13.30
13.30-13.50
13.50-14.10
14.10-14.30
Lunch
Chairman I
Prof. Dr. Majid
Monajjemi
Chairman II
Prof. Dr. Osman
Serindağ
Plenary Lecturer
Prof. Dr. Toshihiko Kobayashi
(The University of Tokyo)
Global Trends of Pharmaceutical Industry and Drug Discovery
Invited Lecturer
Prof. Daryono Hadi Tjahjono
(Bandung Institute of Technology)
CHARGE DISTRIBUTION IN MN-PORPHYRINS: EFFECT TO BIOLOGICAL ACTIVITY
Invited Lecturer
Prof. Philippe A. Bopp
(Universite de Bordeaux)
Molecular Simulations as a Unifying Tool in Physics and Chemistry
Invited Lecturer
Prof. Khairurrijal Khairurrijal
(Bandung Institute of Technology)
A Computational Study of Electron Direct Tunneling Current in TiNx-HfSiOxN SiO2-Si(100) High-K MOS Capacitors
14.30-15.30
15.30-15.50
15.50-16.10
16.10-16.25
16.25-16.40
16.40-16.55
Place: Conference Room 1
Chairman: Prof. Dr. İsmail Yalçın
Break
Poster Section I
Place: Conference room 2
Chairman: Assoc. Prof. Dr. Taner Arslan
Place: Conference room 3
Chairman: Assoc. Prof. Dr. Mustafa Böyükata
Invited Lecturer
Dr. Yee Siew
(University Sains Malaysia)
Invited Lecturer
Prof. Dr. Zoran Markovic
(State University of Novi Pazar)
Invited Lecturer
Assist. Prof. Dr. İsmail Hakkı Sarpün
(Afyon Kocatepe University)
Rational Drug Design of Peroxisome ProliferatorActivated Receptors-γ
Activators Toward the Treatment of Type II
Diabetes Mellitus
Invited Lecturer
Prof. Dr. Esin Akı
(Ankara University)
Investigation of the Hat and Set-Pt Antioxidative
Mechanisms of Quercetin
Computational Methods in Nuclear Physics
Invited Lecturer
Assoc. Prof. Dr. Jørgen Houe Pedersen
(Aalborg University)
Invited Lecturer
Assoc. Prof. Dr. Nina Tuncel
(Akdeniz University)
Structure Based Drug Design Methods
Jutti Levita
(Universitas Padjadjaran)
A Computational Chemistry Study of Atrazine
Fatmawati Adam
(Pahang University of Malaysia)
A Molecular Modeling Study of PPAR- γ
modulators
Molecular Recognition of 2,6-Dihydroxybenzoic
Acid Polymorph in
Ethanol, Methanol and p-Xylene Solution
Volkan Türkmen
(Gaziantep University)
Effect of Single Metal Doping on Size Dependent Structural And
Energetic Changes of Boron Clusters: DFT Study
The Study of the Interaction of Quercetin and
Casticin with H4r,
Anti-Inflammatory Receptor, as Supporting Data
for Anti-Inflammatory Herbal Medicine
Computer Design & Theoretical Investigation of
Flavonoids Derivatives as Anticancer Drugs
DFT Study of Cage PtxBy(CO)m (x+y≤6, m≤x+y) Complexes
Muchtaridi Muchtaridi
(Universitas Padjadjaran)
Nevin Uras-Aytemiz
(Suleyman Demirel University)
Resmi Mustarichie
(Universitas Padjadjaran)
Virtual Screening for Anti-Estrogenic Activity
Onto MCF7 Cell Inhibition Using Three-
Theoretical Techniques
Atmospheric Problems
for
Some
The Computational Methods in Medical Physics
Mustafa Böyükata
(Bozok University)
Nejla Özbey
(Bozok University)
Hacı Özışık
(Aksaray University)
of
the
AB Initio Calculations on Yttrium Sesquioxide (Y2O3)
Dimensional Pharmacophore
Molecular Docking Simulation
16.55-17.10
17.10-17.25
Modeling
and
Ida Musfiroh
(Universitas Padjadjaran)
Mudasir Mudasir
(Gadjah Mada University)
Study of Asiatic Acid as Anti-Inflammation:
Molecular Docking
Simulation and Pharmacophore Analysis
Hamed Chegini
(Islamic Azad University)
Design of New Insecticides of Organophosphate
Derivatives Based on QSAR Analytical Model
Nuclear Magnetic Resonance Investigation of
EV6, Etravirine, Vinblastine and vincristine by
Density Functional Theory (DFT)
The Study
Kinetics
of
the
Thermal
Decomposition of Vinyl butyl ether on the
Mechanism Formation of Hydrogen Bridge by
using of quantum mechanics calculation metods
and application of mathematical programs
gaussian, games and mm2
Dinner
19.00
Behnaz Shahrokh
(Ahvaz-jahad university)
Engin Ateşer
(Aksaray University)
AB Initio Study of Palladium Carbide (PdC) Compound
Mehmet Bulut
(Gaziantep University)
Free Vibration of Composite Plates with Cut-outs
July 10, 2012
08.30-09.00
Chairman I
Prof. Khairurrijal Khairurrijal
09.00-09.30
09.30-09.50
Chairman II
Prof. Philippe A. Bopp
Plenary Lecturer
Prof. Dr. Eno Ebenso
(North West University)
Theoretical and Experimental Studies on Some Furfural Aldehyde Derivatives as Corrosion Inhibitors for Mild Steel in Acidic
Medium
Plenary Lecturer
Prof. Dr. İsmail Yalçın (Ankara University)
Computational Methods in Rational Drug Design
Invited Lecturer
Prof. Naoki Yoshioka (Keio University)
Computational Study of Magnetic properties of Self-Assembled Open-Shell Molecular Systems
09.50-10.15
10.15-10.30
Place : Conference Room 1
Chairman: Assoc. Prof. Dr. Ercan Demirtaş
Wiwiek Indriyati
(Universitas Padjadjaran)
Break
Place: Conference Room 2
Chairman: Prof. Naoki Yoshioka
Rahele Hasani
(Islamic Azad University)
Place: Conference Room 3
Chairman: Asist. Prof. Dr. Alper Başaran
Bertan Beylergil
(Nigde University)
10.30-10.45
10.45-11.00
11.00-11.15
11.15-11.30
11.30-11.45
11.45-12.00
Anti-Inflammatory Activity of Kaemperia
galanga L. Rhizome and Ethyl PMethoxycinnamate
Interaction
Into
Cyclooxygenase-2 (COX-2) Using Molecular
Docking Simulation
M. Sulaiman Zubair
(Tadulako University)
Nanotechnology Approach on Anticancer Properties of
Consolida Sp.: the Study of NBO (Natural Bond Orbital)
Effects of Mechanical Properties on Free Vibration
Characteristics of Adhesively Bonded Double Containment
Joints
Hooria Seyedhosseini Ghaheh
(Islamic Azad University)
Suha Orçun Mert
(Ege University)
Investigation of Anticancer Molecular Targets
from Lunasia amara Alkaloid Compounds by
Docking Simulation
Muhammad Arba
(Bandung Institute of Technology)
Bio-Nano Modeling of Carbon Nanotube Binding to
Amino Acids Using by Computational Method
Genetic Algorithm Based Multi-Objective Optimization for
Fuel Cell Applications
Ali Reza Ilkhani
(Islamic Azad University)
Asif Ali Shaikh
(Mehran University)
In Silico Study of the Binding Mode of
Cationic Porphyrin-Anthraquinone Hybrids To
DNA Duplexes
Investigation on Electrical Properties of Single Walled
Carbon Nanotubes in Different Solvents: a Ab initio
Study
Comparision Through Finite Element Simulation of
Newtonian and Non-Newtonian Fluids Past an Irregular
Obstacle
Ruslin Ruslin
(Bandung Institute of Technology)
Naghmeh Ezzati
(Islamic Azad University)
Elrasheed Ismail Mohommoud Zayid
(Cukurova University)
In Silico Study of a Leonurine-Arginine
Derivative as a Lead Compound for Anti
Cancer Agent
Muhammad Aswad
(Hasanuddin University)
Nanomolecular Simulation of the Sodium and Potassium
Channels Proteins and Compare It,Using Qm/Mm
Methods
Saharnaz Ahmadi
(Islamic Azad University)
Computing and Estimating the Performance Measures of a
Message Passing Multiprocessor Architecture by Using
Artificial Neural Networks
Bertan Beylergil
(Nigde University)
Molecular Docking Study of Alfa Glucisidase
with Quercetin Derivatives
Nano Theoretical Studies of AQUAPORIN-4
(AQP4M23) with Different Concentrations of Water
Optimal Design of Textile Composite Cantilever Beams
with Cutouts for Maximum Lateral Buckling Load
Sophi Damayanti
(Bandung Institute of Technology)
Roya Tati
(Islamic Azad University)
Amir Poorsadeg Zadeh Yeganeh
(Çukurova University)
Interaction Study of O-Desmethylquinine as a
COX-2 Receptor Inhibitor
Rahmana Emran Kartasasmita
(Bandung Institute of Technology)
Anti Cancer Nano Biotechnology of Borago Officinalis
and Ginger Properties by Molecular Mechanic Methods
Yasaman Eftekhari
(Islamic Azad University)
A Novel Swarm-Based Approach To Color Quantization
Reactivity
and
Stability
Studies
of
Antioxidants TBHQ, BHT and BHA Applying
Nano Molecular Extraction of Medicinal Plants; Such as
Eryngium Caeruleum Investigation of QM\MM Methods
Two Dimensional Shape Allocations with Artificial Bee
Colony
Amir Poorsadeg Zadeh Yeganeh
(Çukurova University)
PM3 Computational Method
12.00-13.00
13.00-13.15
13.15-13.30
13.30-13.45
Place : Conference Room 1
Chairman: Prof. Dr. Osman Serindağ
Murat Alper Başaran
(Akdeniz University)
14.00-14.15
14.15-14.30
Place : Conference Room 3
Chairman: Prof. Dr. Murat Alp
Ayşe Anapalı
(Mugla University)
Theoretical and Experimental Studies on Some
Furfural Aldehyde Derivatives as Corrosion
Inhibitors for Mild Steel in Acidic Medium
Morteza Vahedpour
(University of Zanjan)
Investigated of gragh theory on carbon nanotubes by DFT
Numerical Approach for Solving Fractional Bagley-Torvik
Equations
Hamideh Yamola
(İslamic Azad University)
Özgül İlhan
(Mugla University)
Gas Phase Mechanistic Study on the of Ozone
and HS Radical Reaction
DFT Studies of Interaction between Main Group Metals
and B9N9 Nanocone using by Electron Paramagnetic
Resonance (EPR)
Maryam Seyed Hosseini
(İslamic Azad University)
On Morgan-Voyce Polynomials Approximation for Linear
Neutral Delay Differential Equations
A Numerical Approach for Solving Lane-Emden Type
Differantial-Difference Equations
Morteza Vahedpour
(University of Zanjan)
Computational Study of physical chemistry properties of
B16 N16 nanotubs and nano tube field spliiting in
B16N16-X (X=transition metal ion)
Nima Karachi
(İslamic Azad University)
Computational Study on the Mechanism of the
Gas Phase CO and HO2 Reaction
Theoretical Investigation of Carbon Nanotube Binding to
DNA and its future prospects
Hajar Fathalizadeh
(Islamic Azad University)
Reza Rasoolzadeh
(Islamic Azad University)
A Shifted Legendre Approach with Residual Error
Estimation for Delay Linear Fredholm Integro-Differential
Equations
Urwatul Wutsqa Dhoriva
(Yogyakarta State University)
Kinetic and thermodynamic study of
translation property on chemical drugs using
by different compounds calix[4]arene
Mohammad Mousavi
(Islamic Azad University)
Comparison Free Energy Binding Sites Neuraminidase in
Different Dielectrics &Tempreatures, Using Molecular
Dynamic and Monte Carlo for Nano Drug Design
Leila Kharghanian
(Islamic Azad University)
Modeling Islamic Lunar Calendar Effect in Tourism Data
of Prambanan Temple by Using Neural Networks and
Fuzzy Models
Mehmet Tarık Atay
(Nigde University)
Murat Alper Başaran
(Akdeniz University)
Comparision Study of Classic QSAR and
Fuzzy QSAR
13.45-14.00
Lunch
Place : Conference Room 2
Chairman: Sophi Damayanti
Masoomeh Fadaean
(İslamic Azad University)
Burcu Gürbüz
(Mugla University)
Şuayip Yüzbaşı
(Mugla University)
14.30-14.45
14.45-15.00
15.00-15.15
Investigated of Microtubule Inhibitors
Vinblastine and Vincristine by DFT, Ab Initio
and Møller–Plesset Theory
Ab initio Study of Carbon Nanotube Amino
Functionaliezed Acid as a Drug Delivery System
Jamshid Najafpour
(Islamic Azad University)
Elham Pournamdari
(Islamic Azad University)
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
Ali Azarbar
(Islamic Azad University)
Alkali Metal Cations/Crown Ethers (12c4 and
15c5) Complexes: Charge Density Analysis
Zohreh Jamali
(Islamic Azad University)
Ab Initio Study of Thermodynamic Properties, IR Spectra
and NBO Analysis of Cu4O3H2 Nanosemiconductor
Elham Rastkhah
(Islamic Azad University)
Adaptive Processing in Antenna Array Using One Single
Snapshot with Mutual Coupling
Hina Arshad
(Institute of Space Technology)
Computational Study of Inhibitor of BACE1
by AB initio and Density Functional Theory
Monte Carlo Simulation Investigation on Nanotube
Carbon properties of membranes: by the Monte Carlo
Method
Mahsa Zawari
(Islamic Azad University)
Mathematical analyses of attitude estimation techniques for
nanosatellites
Langevin Dynamic Simulation study on Nanotube
Carbon properties of membranes, by QM/MM Method
Design, Mathematical Modeling and Simulation of
Positioning Algorithm
Jamshid Najafpour
(Islamic Azad University)
Atomic Origin of the Partial Molar Volume in
Binary Mixtures I. Carbon Disulfide-Acetone
and Methanol-Ethanol
15.15-16.15
16.15-16.35
16.35-16.50
Place : Conference Room 1
Chairman: Prof. Dr. Zoran Markovic
Invited Lecturer
Prof. Hermawank. Dipoyono
(Bandung Institute of Technology)
Break
Poster Section II
Place : Conference Room 2
Chairman: Prof. Dr. Toshihiko Kobayashi
Invited Lecturer
Prof. Norio Matsushima
(Sapporo Medical University)
Photocatalytic Mechanism and Properties of
TIO2 Anatase Doped with Nitrogen and 3DTransition Metals: A Density Functional
Theory Based Computational Study
Nastaran Asghari moghadam
(Islamic Azad University)
Molecular Evolution of Toll-like Receptors
Theoretical investigation of P53 structures and
interactions
In Silico Glycogen Phosphorylase Inhibitory Activity of
Tinospora Cordifolia Chemical Constituents
Rina Herowati
(Universitas Setia Budi)
Najam Naqvi
(Northwestern Polytechnical University)
Place : Conference Room 3
Chairman: Assoc. Prof. Dr. Nina Tuncel
Emrah Gök
(Mugla University)
Residual Correction of the Hermite Polynomial Solutions of
the Generalized Pantograph Equations
Najam Naqvi
(Northwestern Polytechnical University)
Mathematical Modeling and Analyses of Short Baseline
GNSS Based Attitude Determination of Satellite
16.50-17.05
Mohammed Amin
(Taif University)
Arina Rahimi
(Islamic Azad University)
Hina Arshad
(Institute of Space Technology)
Inhibition Performance and Adsorption
Behaviour of Three Amino Acids on Cold
Rolled Steel in 1.0 M HCl – Chemical,
Electrochemical,
Morphological
and
Theoretical Studies
(Thermodynamic Study Etravirine in Variouse
Dielectrics by Density Functional Theory and Ab Initio in
Several Temperatures)
Design, modeling and simulation of j2 orbit propagator for
CUBESAT
Dinner
19.00
Place : Conference Room 1
Chairman: Prof. Dr. Eno Ebenso
08.30-09.30
09.30-09.50
09.50-10.05
Plenary Lecturer
Prof. Dr. Fatma Kandemirli
(Nigde University)
Invited Lecturer
Prof. Harno Dwi Pranowo
(Universitas Gadjah Mada)
Selectivity of Crown Ether to Some Metal
Cation: Molecular Modeling Based on AB
Initio Methods
Seyed Mohammad Shoaei
(Islamic Azad University)
Digital Simulation of the Cyclic Voltammetry
Study of the of Catechols in the Presence of
Dimethyl Phosphate
July 11, 2012
Place : Conference Room 2
Chairman: Prof. Dr. Esin Akı
08.30-08.50
08.50-09.05
09.05-09.20
Place : Conference Room 3
Chairman: Assoc. Prof. Dr. Jørgen Houe
Pedersen
08.30-08.50
Invited Lecturer
Assoc. Prof. Dr. Özgür Alver
(Anadolu University)
Invited Lecturer
Dr. Supat JIranusornkul
(Chiang Mai University)
Improving the Binding Affinity of a
Designed Zinc Finger Protein by
Molecular Dynamics Simulation
Reza Rasoolzadeh
(Islamic Azad University)
08.50-09.10
Studies of Molecular Modeling on Drug
Design of Amino Acids Involved with
Influenza (H1N1) Neuraminidase Using
QM/MM Methods
La ode Aman
(Universitas Negeri gorontalo)
Molecular
Docking
of
aminothieno[2,3-D]pyrimidine
Derivatives as Hsp90 Inhibitor
Experimental and Theoretical Vibrational
Analyses and Molecular Conformations
of Nocodazole
Invited Lecturer
Luís Pinto da Silva
(University of Porto)
TD-DFT/MM Studies of the Firefly
Bioluminescence Phenomenon
09.10-09.30
Invited Lecturer
Dr. Cihan Parlak
(Abant İzzet Baysal University)
2Magnetic, Electronical and Lattice
Dynamical Properties of Iron-Based
Superconductor CeFeAsO from First
Principles
10.05-10.20
Mojgan Hosein Zadeh
(İslamic Azad University)
09.20-09.35
Invistegation of Jahn-Teller effect on(Cuf6)4cluster by QM theory
10.20-10.35
Seyed Mohammad Shoaei
(Islamic Azad University)
Anoosh Eghdami
(Islamic Azad University)
09.30-09.45
Investigation
of
physicochemical
properties of vinblastine as a
chemotherapeutic drug
09.35-09.50
Synthesis,
FT-IR
Spectra
and
DFT
Calculations on Sterically Congested 2,2disubstituted indane-1,3-dione Derivatives
09.50-10.05
Anita Salamat
(Islamic Azad University)
Computational Calculations for Finding
Stable
Modeles
of
F(Cnt)
in
Combination of Drugs
Bashar Mudhaffar Abdullah
(National University of Malaysia)
Investigation of the Zenith Angle
Dependence of Cosmic Muons at Sea
Level by Geant4 Simulation Package
09.45-10.00
10.00-10.15
Gas Chromatography Analysis of
Separation Linoleic and Oleic Acids
10.05-10.20
10.20-10.35
10.35-11.05
11.05-12.00
12.00-13.00
13.30
Halil Arslan
(Sakarya University)
Yasemin Çiftci
(Gazi University)
The Investigation of Physical Properties
of LaC2 Compound: First Principles
Study
Taner Tanriverdi
(Nigde University)
The Preliminary Abundance Results of
the Supergiant, HD 800257 (AI Ib) with
UVES Spectra
Siti Hana Abu Bakar
(University Malaysia Pahang)
Molecular Dynamic Simulation for
Patchouli Oil extraction Processes
Mehmet Tarık Atay
(Nigde University)
The Semi-Analytical Solutions for HIV
and Fatal Disease Models by Using
Variational Iteration Method and
Modified Variational Iteration Methods
Break
Closing
Lunch
Nigde Tour
Moussab Harb
(Kingdom of Saudi Arabia)
10.15-10.30
Visible-Light Responsive N- and CDoped TiO2 Photocatalysts: DFT
Insights on the Chemical and Electronic
Origin of the Optical Improvement in the
Visible Region
POSTER
SECTİON 1
1. Nurettin Korozlu (ErzincanUniversity) The Structural and Optical Properties of GdPdBi Compound
2. Lutfiye Aydın (Erciyes University) Density Functional Theory(DFT) of Aminopyrimidines
3. Lutfiye Aydın (Erciyes University) Conformer Analysis of 4-methyl-n-[2-oxo-4-(4-methylphenyl)-5-(4-methylbenzoyl)pyrimidin-1(2H)-yl]benzamide
4. Şevket Arda Atılgan (Bozok University) Structural and Energetic Analysis of C8H10N2O4 Molecule and Its Water Conjuncted Complexes: a Computational Study
5-Ülkü Dilek Uysal (Anadolu University) A Semi-Empirical and DFT Study of 2,2/,3,4-Tetrahydroxy-3/-sulpho azobenzene Derivatives and Their Zirconium Complexes
6. Battal Gazi Yalçın (Sakarya University) A Study on Electronic Structure and Density of State for III-V Semiconductor Alloys
7. Svetlana Markovic (University of Kragujevac) Diradicals and Singlet Diradicals
8. S. Ebru Özdal (Gaziantep University) QSAR Studies for Treatment of Obesity of Synthesized Carbazole Derivatives as NPY Y1 Antagonists
9. Güzide Pekcan Ertokuş (Suleyman Demirel University) Determination of the Colorants in Various Samples by Chemometric Methods Using Computational Chemistry
10. Mehmet Üstündağ (Sakarya University) A Study on the Band Structure of III-V Semiconductor Compounds by Using k.p Method
11. Şahin Ünlüer (Nigde University) Origin of the Phase Transition in Core-Surface Nanoparticles
12. Şahin Ünlüer (Nigde University) Temperature Evolution of Magnetic Properties of Nanostructured Multilayer Films
13. Özlem Mıhçıokur (Erciyes University) Conformational Analysis and Vibrational Study of N-{3-chloro-4[(3-fluorobenzyl)oxy]-phenyl{-6-[5-({[2-(methylsulfonyl)ethyl]amino {methyl)2-furyl]-4-quinazolinamine
14. Hatice Arı (Bozok University) Theoretical and Vibrational Analysis of Glycylglycylalanine as a Part of Spider Silk Protein
15. Hatice Arı (Bozok University) Conformational Stability, Theoretical and Vibrational Spectroscopic Investigation of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-dimethoxybenzoicacid
16. Talat Özpozan (Erciyes University) A Density Functional Theory(DFT) and Vibrational Study of N,N'-Ethylenebis(Pyridoxylideneiminato) with Mn(III) Complex
17. Halil Gökce (Suleyman Demirel University) The Molecular Structure, Spectroscopic Properties and Quantum Chemical Calculations of 3-methyl-4-[3-methoxy-4-(4methylbenzoxy)benzyliden amino]-4,5-dihydro-1H-1,2,4-triazol-5-ones Molecule
18. Halil Gökce (Suleyman Demirel University) The Molecular Structure, Spectroscopic Properties and Quantum Chemical Calculations of 1-Acetyl-3-methyl-4-[3-methoxy-4-(4methylbenzoxy) benzylidenamino]-4,5-Dihydro-1H-1,2,4-triazol-5-ones Molecule
19. Demet Karadeniz (Ankara University) Quantum Mechanic Studies of Some Substituted Thiophenes
20. Gökhan Şirikçi (Ankara University) Quantum Chemical Studies of Some Chromen Derivatives
21. Mehmet Ali Güzel (Nigde University) The Effects of Long Time Sintering on Vicker’s Hardness Measurements of the High Temperature Superconductors
22. Mehmet Ali Güzel (Nigde University) Comparison Effects of Magnetic Levitation
23. Gözde Selin Coruk (Ankara University) Theoretical Calculations of the Synthesis of Pyridazine-Pyrroles
24. Pervin Ünal Civcir (Ankara University) Electrophilicity Index of Substituted Furans
25. Sabahattin Akbaş (Gazi University) Symmetry Properties of Even-Even Deformed 156-164Dy Isotopic Nucleus by Using Collective Excitation Modes
26. Hajar Fathalizadeh (Islamic Azad University) Quantum mechanical investigation of basis set effects on the NMR chemical shielding tensors data of calix[4]arene
27. Anita Salamat (Islamic Azad University) Study of Combination of Gleevec and SWCNTs in different pH for Future Clinical Purposes
28. Maryam Ghorbani Rad (Islamic Azad University) Nanoparticles silica supported antimony pentachlorid (NPs SiO2- SbCl5): a solid phase acidic catalyst for synthesis of
pyrazolopyranopyrazoles
29. Nasrin Zeighami (Islamic Azad University) Molecular Mechanics Simulation study on Nanotube Carbon properties of membranes ,by MD/MM Method
30. A. Ali Gürten (Korkut Ata University) Inhibition Effect of ALS Molecule on Mild Steel in Acidic Solution: Experimental and Theoretical Study
31. Esra Sengün (Nigde University) Theoretical and Experimental Studies on Some Thiosemicarbazide Derivatives the Corrosion of Mild Steel in Hydrochloric Acid
32. Fikrican Dilek (Nigde University) Bent Rule: Theoretical Studies of PCl5, PCl4Br, PCl3Br2, PCl2Br3, PCl4Br
33. Dilan Balcı (Nigde University) 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+
34. Arzu Ekinci (Siirt University) Investigation of N,N’ – Ethylenebis (salicylideneimine) – 1,8 – diamino octane Schiff Base Derivative with 1H-NMR and Computational Studies
35. Burcu Malgaç (Nigde University) Theoretical Study on Some Bis(Amino)Phosphine Derivatives
36. Tamer Kamış (Sakarya University) Ab initio Calculation of the Electronic and Dynamical Properties of the ZrC(001)-(1×1) Surface
37. Yunus Kaya (Uludag University) Crystal Structure, Spectroscopic Investigations and DFT/TD-Dft Studies of Palladium(Ii) Complex Containing Imine Oxime and Carbonyl Oxime
38. Neslihan Kaya Kınaytürk (Suleyman Demirel University) Molecular Structure, Vibrational Spectra, First Order Hyper Polarizability, NBO and Homo-Lumo Analysis of 1-methyl-6-nitro1H-benzimidazole
39. Wahiba Kabar (Constantine University) Numerical Fluid Dynamics Modeling of Ultraviolet Water Disinfection
40. Gholam Hossein Shafiee (Islamic Azad University) Atomic Origin of the Partial Molar Volume in Binary Mixtures II. Chloroform-Acetone and Benzene-Toluene
41. Murat Saraçoğlu (Erciyes University) Etm and Ann Study for Polysubstituted 2h-Pyran-2-Ones
42. Seyed Mohammad Shoaei (Islamic Azad University) Density Functional Theory (DFT) Outlook of Biological Active Site Junction to Single Walled Carbon Nano Tube
43. Baltache Hadj (Mascara University) Ab initio Calculations of Structural, Elastic, Magnetic and Electronic Properties of Ferromagnetic CmP under Pressure
44. Arezou Ejlali (Islamic Azad University) hermodynamic and Bioinformatics Study of Insulin uptake to Skin by Micro Calorimeter and QM/MM Methods
SECTION 2
1. Gülay Günday Konan (Sakarya University) Correlation and Relativistic Effects on the Level Structure of Negative Ions of Atoms with Half-Filled p Shell
2. Burçin Türkmenoğlu (Erciyes University) 4D-QSAR Study of Sodium Channel Blocker Activity of 3-aminopyrroles Using MCET Method
3. Reza Rasoolzadeh (Islamic Azad University) Nano Study of TSGA10 Protein Structure ,Using Molecular Mechanics Methods
4. Mine Balcı (Suleyman Demirel University) The Auto-Ionization Process of HNO3 in Water Clusters
5. Çağrı Çırak (Erzincan University) Computational Study on the Adsorption of H2 ON ZnO Nanorod
6. Hasan Özsoy (Suleyman Demirel University) Theoretical Investigation of the Hydrogen Bonded (HNO3)...(X)m (X=H2O, CH3OH ve m=1-2) Cluster
7. Mehmet Bora Çiçek (Suleyman Demirel University) An Investigation of Semi-empirical Methods of Molecular Cluster of X…(H2O)n (n=1-2, X=DME,EO,TMO,THF)
8. Zafer Maslakçı (Suleyman Demirel University) Comparison of Classical and Nonclassical Infrared-Band Frequencies for Clathrate Hydrates of Ethers with HCN, SO2 and C2H2 as Small
Cage Guests
9. Mehmet Çadır (Erciyes University) The Reactions of Some Pyrazole-3-carboxylic acid chlorides with Various Hydrazides
10. Ercan Demirtaş (Osmangazi University) Investigation of the Substituent Effect on Electronic Structure, Band Gap, Ultraviolet (UV) Spectrum for Neutral, Monocationic and Dicationic
Form of Polyfuran Conducting Polymers
11. Ercan Demirtaş (Osmangazi University) Regression Analysis for Polyfuran Conducting Polymers; Prediction of Band Gaps
12. Taner Arslan (Osmangazi University) A Theoretical Study on Some Polyfuran Conducting Polymers
13. Halil Berber (Anadolu University) Certain Theoretical Calculations of Substituted 4-(phenyldiazenyl)benzene-1,3-diol Derivatives and Investigation of Correlations with Those
Experimental Values
14. Zeynep Çimen (Erciyes University) Synthesis and Quantum Chemical Calculations of Some Novel 2-Oxopyrimidin-1(2H)-yl-Amides Derivatives
15. Nasarul islam Rather (University of Kashmir) Antimicrobial Activity Assessment of Certain Anilide Derivatives; a DFT Study
16. Yadigar Gülseven Sıdır (Bitlis Eren University) Determination on Tautomeric Equilibrium Constants (KT) and Acid Dissociation Constants (pKa) of Some Benzothiazolon Derivatives
17. Yadigar Gülseven Sıdır (Bitlis Eren University) QSAR Study on Biological Activity of Some 5,8-Quinolinequinones Derivatives
18. Demet Özkır (Nigde University) Quantum Chemical Aspects on the Inhibition Effect of Azure C
19. Demet Özkır (Nigde University) Theoretical Approach on the Inhibition Effect of a Newly Synthesized Schiff Base on Mild Steel in 1.0 M HCl
20. Sema Şahin (Gazi University) First Principes Studies of Elastic and Thermodynamic Properties of the Ternary Chalcopyrite Semiconductors CuAlX2 (X = S, Se, Te)
21. Yusuf Akkaya (Nigde University) Reaction Mechanism Study of Isatin Thiosemicarbazone Derivatives
22. Nathir Al-Rawashdeh (United Arab Emirates University) Dependence of Spectroscopic, Electrochemical, and Excited-State Properties of Ru(diimine)2(thioether) Complexes on Ligand
Substituents: TDDFT Computational Study
23. Beyza Sarıkavak Lişesivdin (Gazi University) Pressure-Depended Elastic, Electronic and Optical Properties of La2O3 from First Principles Calculations
24. Beyza Sarıkavak Lişesivdin (Gazi University) First Principles Study of Interaction Between Ru and Graphene Nanoribbons
25. Elham Rastkhah (Islamic Azad University) Langevin Dynamic Simulation Investigation on Nanotube Carbon properties of membranes, using by molecular mechanics Method
26. Mahsa Zawari (Islamic Azad University) Monte Carlo Simulation Investigation on Nanotube Carbon properties of membranes with Computational Method
27. Leila Afchangi (Islamic Azad University) Computational Simulation Studies on Multi-wall Nano-cell by Monte Carol Method
28. Maryam Falahati (Islamic Azad University) Computational Study on Alcohol Nano Sensors in Combination with Carbon Nanotube; A Monte Carlo and Ab Initio Calculations
29. Fatemeh Azarakhshi (Islamic Azad University) Ab Initio Study and NBO Analysis of Conformational Propertiess of 2-Substituted Nanocyclohexane-1,3-diones and Its Analogues
Containing S and Se Atoms
30. Fatemeh Azarakhshi (Islamic Azad University) Resonance Energies Effects on the Conformational Behaviors of 2,6-Disubstitued Cyclohexanone and Their Analogous Containing S and
Se Atoms. A Hybrid-DFT Study and NBO Interpretations
31. Elham Pournamdari (Islamic Azad University) Theoritical Investigation on NBO Analysis, IR Data and NMR Spectra of (GaN) 4 Nanosemiconductors
32. Çiğdem Şahin (Nigde University) Experimental and Theoretical Study of Organic Azo Dye, Maxilon Red Grl, as Corrosion Inhibitor for Mild Steel in 1.0 M HCl
33. Boutebba Souheila (Université de Jijel) Heat Transfer Modeling in Gas-Filled Lamp
34. İsa Sıdır (Bitlis Eren University) Ab initio HF and DFT Computational Studies on Heptachlor
35. İsa Sıdır (Bitlis Eren University) Structure-Activity Relationships for Novel Drug Precursor N-Substituted-6-Acylbenzothiazolon Derivatives: a Theoretical Approach
36. Salih Çınaklı (Erciyes University) Synthesis, Characterization and Density Functional Theory Studies of Novel Cu(II) and Ni(II) Complexes with Quadridentate Schiff Bases
37. Servet Kurt (Bozok University) The Structure and Stability of Rebn (N=1-15) Clusters
38. Lokman Uludag (Nigde University) Inhibitive Properties and Quantum Chemical Studies of 3-methoxyphenyl-3-thiosemicarbazide on Mild Steel Corrosion in HCl
39. Eşe Akpınar Ergün (Suleyman Demirel University) The Investigation of the Martensite Phase Transformation in Fe1-xNix Alloys by Molecular Dynamics Simulation
40. Fatih Keçeci (Nigde University) Fukui Functions of Benzene Derivatives
41. Osman Serindağ (Abdullah Gül University) Theoretical Study on Pt(II) and Pd(II) Complexes of Aminomethylphosphines
42. Fereshteh Amiri Tavasoli (Islamic Azad University) Ab initio NMR Nano Comparative Stadies of Three Novels Nitro Aryl Indole Kojic acid
43. Narges Najafloo (Islamic Azad University) Computational Nano Study on Structure and Dynamics of Na and Ca channels proteins
44. Ahmad Alaei (Islamic Azad University) Simulation and Study of Water and Ions from Neuronic Cell Membranes by AQP5 BY QM/MM