List of Participant. Participation. A Novel Concept of BnNn Nano Molecular Motor Rings as a Bio Molecular Detectoer Prof. Dr. Ziya Burhaneddin Güvenç

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1 The 2 nd International Conference on Computation for Science and Technology (ICCST-2) List of Participant Name Surname Country University Preference of Participation Prof. Dr. Majid Monajjemi Iran IAU Plenary Title A Novel Concept of BnNn Nano Molecular Motor Rings as a Bio Molecular Detectoer Prof. Dr. Ziya Burhaneddin Güvenç Turkey Çankaya University Plenary Computational Studies on Atom/Molecule Interactions with Crystal/Cluster Surfaces Prof. Dr. İsmail Yalçın Turkey Ankara University Plenary Prof. Dr. Toshihiko Kobayashi Japan The University of Tokyo Plenary Computational Methods in Rational Drug Design Global Trends of Pharmaceutical Industry and Drug Discovery Prof. Dr. Alamgir Hossain United Northumbria University Plenary Computational Intelligence for Medical Applications with a Focus to Cancer Kingdom Informatics Prof. Dr. Fatma Kandemirli Turkey Nigde University Plenary Theoretıcal UV Study Of Isatin Thiosemıcarbazone Derivatives and Their Metal Complexes Prof. Dr. Eno Ebenso South North West University Plenary Theoretical and Experimental Studies on Some Furfural Aldehyde Derivatives as Africa Corrosion Inhibitors for Mild Steel in Acidic Medium Dr. Supat JIranusornkul Thailand Chiang Mai University Invited Prof. Norio Matsushima Japan Sapporo Medical University Invited Prof. Habibah A wahab Malaysia Universiti Sains Malaysia Invited Improving the Binding Affinity of a Designed Zinc Finger Protein by Molecular Dynamics Simulation Molecular Evolution of Toll-like Receptors Rational Drug Design of Peroxisome Proliferator-Activated Receptors-γ Activators Toward the Treatment of Type II Diabetes Mellitus Prof. Khairurrijal Khairurrijal Indonesia Bandung Institute of Technology Invited A Computational Study of Electron Direct Tunneling Current in TiNx-HfSiOxN- SiO2-Si(100) High-K MOS Capacitors Prof. Daryono Hadi Tjahjono Indonesia Bandung Institute of Invited

2 Technology Prof. Naoki Yoshioka Japan Keio University Invited Prof. Philippe A. Bopp France Universite de Bordeaux Invited Computational Study of Magneticproperties of Self-Assembled Open-Shell Molecular Systems Molecular Simulations as a Unifying Tool in Physics and Chemistry Prof. Dr. Zoran Markovic Serbia and State University of Novi Pazar Invited Investigation of the Hat and Set-Pt Antioxidative Mechanisms of Quercetin Montenegr Prof. Luís Pinto da Silva Portugal University of Porto Invited Assoc. Prof. Dr. Özgür Alver Turkey Anadolu University Invited TD-DFT/MM Studies of the Firefly Bioluminescence Phenomenon Experimental and Theoretical Vibrational Analyses and Molecular Conformations of Nocodazole Assist. Prof. Dr. İsmail Hakkı Sarpün Assoc. Prof. Dr. Jørgen Houe Pedersen Turkey Afyon Kocatepe University Invited Denmark Aalborg University Invited Computational Methods in Nuclear Physics A Computational Chemistry Study of Atrazine Prof. Hermawank. Dipoyono Indonesia Bandung Institute of Technology Invited Photocatalytic Mechanism and Properties of TIO2 Anatase Doped with Nitrogen and 3D-Transition Metals: A Density Functional Theory Based Computational Study Prof. Dr. Esin Akı Turkey Ankara University Invited Prof. Harno Dwi Pranowo Indonesia Universitas Gadjah Mada Invited Assoc. Prof. Dr. Nina Tuncel Turkey Akdeniz University Invited Prof. Dr. Cihan Parlak Turkey Abant İzzet Baysal University Invited Structure Based Drug Design Methods Selectivity of Crown Ether to Some Metal Cation: Molecular Modeling Based on AB Initio Methods The Computational Methods in Medical Physics Magnetic, Electronical and Lattice Dynamical Properties of Iron-Based Superconductor CeFeAsO from First Principles

3 No Name Surname Country University Preference of Title Participation p-9 Nurettin Korozlu Turkey Erzincan University The Structural and Optical Properties of GdPdBi Compound p-10 Lutfiye Aydin Turkey Erciyes University Density Functional Theory(DFT) of Aminopyrimidines Conformer Analysis of 4-methyl-n-[2-oxo-4-(4-methylphenyl)-5-(4- methylbenzoyl)pyrimidin-1(2h)-yl]benzamide p-17 Servet Kurt Turkey Bozok University The Structure and Stability of Reb n (N=1-15) Clusters p-18 Jutti Levita Indonesia Universitas Padjadjaran A Molecular Modeling Study of PPAR- γ modulators p-23 Resmi Mustarichie Indonesia Universitas Padjadjaran The Study of the Interaction of Quercetin and Casticin with H4r, Anti-Inflammatory Receptor, as Supporting Data for Anti- Inflammatory Herbal Medicine p-24 La ode Aman Indonesia Universitas Negeri gorontalo Molecular Docking of 2-aminothieno[2,3-D]pyrimidine Derivatives as Hsp90 Inhibitor p-25 Şevket Arda Atılgan Turkey Bozok University Structural and Energetic Analysis of C 8 H 10 N 2 O 4 Molecule and Its Water Conjuncted Complexes: a Computational Study p-26 Ülkü Dilek Uysal Turkey Anadolu University 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 Effects of Mechanical Properties on Free Vibration Characteristics of Adhesively Bonded Double Containment Joints Optimal Design of Textile Composite Cantilever Beams with Cutouts for Maximum Lateral Buckling Load p-30 Suha Orçun Mert Turkey Ege University Genetic Algorithm Based Multi-Objective Optimization for Fuel Cell Applications p-31 Battal Gazi Yalcin Turkey Sakarya University A Study on Electronic Structure and Density of State for III-V Semiconductor Alloys p-32 Halil Arslan Turkey Sakarya University Investigation of the Zenith Angle Dependence of Cosmic Muons at Sea Level by Geant4 Simulation Package

4 p-33 Asif Ali Shaikh Pakistan Mehran University Comparision Through Finite Element Simulation of Newtonian and Non-Newtonian Fluids Past an Irregular Obstacle p-38 Svetlana Markovic Serbia and Montenegr University of Kragujevac Diradicals and Singlet Diradicals p-43 Muchtaridi Muchtaridi Indonesia Universitas Padjadjaran Virtual Screening for Anti-Estrogenic Activity Onto MCF7 Cell Inhibition Using Three-Dimensional Pharmacophore Modeling and Molecular Docking Simulation p-44 Ida Musfiroh Indonesia Universitas Padjadjaran Study of Asiatic Acid as Anti-Inflammation: Molecular Docking Simulation and Pharmacophore Analysis p-45 Wiwiek Indriyati Indonesia Universitas Padjadjaran 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 Molecular Recognition of 2,6-Dihydroxybenzoic Acid Polymorph in Ethanol, Methanol and p-xylene Solution p-49 M. Sulaiman Zubair Indonesia Tadulako University Investigation of Anticancer Molecular Targets from Lunasia amara Alkaloid Compounds by Docking Simulation p-50 Muhammad Arba Indonesia Bandung Institute of Technology In Silico Study of the Binding Mode of Cationic Porphyrin- Anthraquinone Hybrids To Dna Duplexes p-51 S. Ebru Özdal Turkey Gaziantep University QSAR Studies for Treatment of Obesity of Synthesized Carbazole Derivatives as NPY Y1 Antagonists p-52 Ruslin Ruslin Indonesia Bandung Institute of Technology p-53 Bashar Mudhaffar Abdullah Malaysia National University of Malaysia In Silico Study of a Leonurine-Arginine Derivative as a Lead Compound for Anti Cancer Agent Gas Chromatography Analysis of Separation Linoleic and Oleic Acids p-54 Güzide Pekcan Ertokuş Turkey Suleyman Demirel University Determination of the Colorants in Various Samples by Chemometric Methods Using Computational Chemistry p-57 Muhammad Aswad Indonesia Hasanuddin University Molecular Docking Study of Alfa Glucisidase with Quercetin Derivatives

5 p-58 Volkan Türkmen Turkey Gaziantep University Computer Design & Theoretical Investigation of Flavonoids Derivatives as Anticancer Drugs p-59 Mehmet Üstündağ Turkey Sakarya University A Study on the Band Structure of III-V Semiconductor Compounds by Using k.p Method p-60 Şahin Ünlüer Turkey Nigde University Origin of the Phase Transition in Core-Surface Nanoparticles Temperature Evolution of Magnetic Properties of Nanostructured Multilayer Films p-62 Elrasheed Ismail Mohommoud Zayid Turkey Cukurova University Computing and Estimating the Performance Measures of a Message Passing Multiprocessor Architecture by Using Artificial Neural Networks p-63 Özlem Mıhçıokur Turkey 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 p-64 Hatice Arı Turkey Bozok University Theoretical and Vibrational Analysis of Glycylglycylalanine as a Part of Spider Silk Protein 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 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 The Molecular Structure, Spectroscopic Properties and Quantum Chemical Calculations of 3-methyl-4-[3-methoxy-4-(4- methylbenzoxy)benzyliden amino]-4,5-dihydro-1h-1,2,4-triazol-5- ones Molecule 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

6 p-67 Sophi Damayanti Indonesia Bandung Institute of Technology p-69 Rahmana Emran Kartasasmita Indonesia Bandung Institute of Technology Interaction Study of O-Desmethylquinine as a COX-2 Receptor Inhibitor Reactivity and Stability Studies of Antioxidants TBHQ, BHT AND BHA Applying PM3 Computational Method p-70 Demet Karadeniz Turkey Ankara University Quantum Mechanic Studies of Some Substituted Thiophenes p-71 Gökhan Şirikçi Turkey Ankara University Quantum Chemical Studies of Some Chromen Derivatives p-73 Mehmet Ali Güzel Turkey Nigde University The Effects of Long Time Sintering on Vicker s Hardness Measurements of the High Temperature Superconductors Comparison Effects of Magnetic Levitation p-75 Gözde Selin Coruk Turkey Ankara University Theoretical Calculations of the Synthesis of Pyridazine-Pyrroles p-76 Engin Ateşer Turkey Aksaray University AB Initio Study of Palladium Carbide (PdC) Compound p-77 Pervin Ünal Civcir Turkey Ankara University Electrophilicity Index of Substituted Furans p-78 Taner Tanriverdi Turkey Nigde University The Preliminary Abundance Results of the Supergiant, HD (AI Ib) with UVES Spectra p-79 Sabahattin Akbaş Turkey Gazi University Symmetry Properties of Even-Even Deformed Dy Isotopic Nucleus by Using Collective Excitation Modes p-80 Hacı Özışık Turkey Aksaray University AB Initio Calculations on Yttrium Sesquioxide (Y 2 O 3 ) p-81 Gülay Günday Konan Turkey Sakarya University 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 Nanotechnology Approach on Anticancer Properties of Consolida Sp.: the Study of NBO (Natural Bond Orbital) p-84 Burçin Türkmenoğlu Turkey Erciyes University 4D-QSAR Study of Sodium Channel Blocker Activity of 3- aminopyrroles Using MCET Method

7 p-85 Reza Rasoolzadeh Iran Islamic Azad University Comparison Free Energy Binding Sites Neuraminidase in Different Dielectrics &Tempreatures,Using Molecular Dynamic and Monte Carlo for Nano Drug Design Studies of Molecular Modeling on Drug Design of Amino Acids Involved with Influenza (H1N1) Neuraminidase Using QM/MM Methods Nano Study of TSGA10 Protein Structure,Using Molecular Mechanics Methods p-86 Mine Balcı Turkey Suleyman Demirel University The Auto-Ionization Process of HNO 3 in Water Clusters p-87 Çağrı Çırak Turkey Erzincan University Computational Study on the Adsorption of H 2 ON ZnO Nanorod p-89 Rina Herowati Indonesia Universitas Setia Budi In Silico Glycogen Phosphorylase Inhibitory Activity of Tinospora Cordifolia Chemical Constituents p-90 Hasan Özsoy Turkey Suleyman Demirel University Theoretical Investigation of the Hydrogen Bonded (HNO 3 )...(X)m (X=H 2 O, CH 3 OH ve m=1-2) ClusterS p-91 Mehmet Bora Çiçek Turkey Suleyman Demirel University A Theoretical Investigation of Semi-empirical Methods of Molecular Cluster of X-H 2 O p-92 Zafer Maslakçı Turkey Suleyman Demirel University Comparison of Classical and Nonclassical Infrared-Band Frequencies for Clathrate Hydrates of Ethers with HCN, SO 2 and C 2 H 2 as Small Cage Guests p-93 Nevin Uras-Aytemiz Turkey Suleyman Demirel University Theoretical Techniques for Some of the Atmospheric Problems p-94 Mehmet Çadır Turkey Erciyes University The Reactions of Some Pyrazole-3-carboxylic acid chlorides with Various Hydrazides p-95 Ercan Demirtaş Turkey 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 Regression Analysis for Polyfuran Conducting Polymers; Prediction of Band Gaps

8 p-96 Taner Arslan Turkey Osmangazi University A Theoretical Study on Some Polyfuran Conducting Polymers p-97 Halil Berber Turkey Anadolu University 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 Synthesis and Quantum Chemical Calculations of Some Novel 2- Oxopyrimidin-1(2H)-yl-Amides Derivatives p-99 Mudasir Mudasir Indonesia Gadjah Mada University Design of New Insecticides of Organophosphate Derivatives Based on QSAR Analytical Model p-100 Nasarul islam Rather India University of Kashmir Antimicrobial Activity Assessment of Certain Anilide Derivatives; a DFT Study p-101 Murat Alper Başaran Turkey Akdeniz University Theoretical and Experimental Studies on Some Furfural Aldehyde Derivatives as Corrosion Inhibitors for Mild Steel in Acidic Medium p-105 Kadriye Kayakırılmaz Turkey Nigde University Accompanying Participant Comparision Study of Classic QSAR and Fuzzy QSAR Quantum Chemical Aspects on the Inhibition Effect of Azure C Theoretical Approach on the Inhibition Effect of a Newly Synthesized Schiff Base on Mild Steel in 1.0 M HCl Experimental and Theoretical Study of Organic Azo Dye, Maxilon Red Grl, as Corrosion Inhibitor for Mild Steel in 1.0 M HCl p-108 Yadigar Gülseven Sıdır Turkey Bitlis Eren University Determination on Tautomeric Equilibrium Constants (KT) and Acid Dissociation Constants (pka) of Some Benzothiazolon Derivatives QSAR Study on Biological Activity of Some 5,8-Quinolinequinones Derivatives

9 p-109 Demet Özkır Turkey Nigde University Quantum Chemical Aspects on the Inhibition Effect of Azure C 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 Quantum Chemical Investigations on Quinoline Derivatives as Effective Corrosion Inhibitors for Mild Steel in Acidic Medium p-116 Amir Poorsadeg Zadeh Yeganeh Turkey Çukurova University A Novel Swarm-Based Approach To Color Quantization Two Dimensional Shape Allocations with Artificial Bee Colony p-117 Sema Şahin Turkey Gazi University First Principes Studies of Elastic and Thermodynamic Properties of the Ternary Chalcopyrite Semiconductors CuAlX 2 (X = S, Se, Te) p-122 Yusuf Akkaya Turkey Nigde University Reaction Mechanism Study of Isatin Thiosemicarbazone Derivatives p-124 Urwatul Wutsqa Dhoriva Indonesia Yogyakarta State University 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 Emirates Dependence of Spectroscopic, Electrochemical, and Excited-State Arab University Properties of Ru(diimine) 2 (thioether) Complexes on Ligand Emirates Substituents: TDDFT Computational Study p-128 Moussab Harb Kingdom KAUST Catalysis Research Visible-Light Responsive N- and C-Doped TiO 2 Photocatalysts: DFT of Saudi Center Insights on the Chemical and Electronic Origin of the Optical Arabia Improvement in the Visible Region p-131 Beyza Sarıkavak Lişesivdin Turkey Gazi University Pressure-Depended Elastic, Electronic and Optical Properties of La 2 O 3 from First Principles Calculations First Principles Study of Interaction Between Ru and Graphene Nanoribbons

10 p-133 Mehmet Tarık Atay Turkey Nigde 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 p-134 Morteza Vahedpour Iran University of Zanjan The Semi-Analytical Solutions for HIV and Fatal Disease Models by Using Variational Iteration Method and Modified Variational Iteration Methods Gas Phase Mechanistic Study on the of Ozone and HS Radical Reaction Computational Study on the Mechanism of the Gas Phase CO and HO 2 Reaction p-135 A. Ali Gürten Turkey Korkut Ata University Inhibition Effect of ALS Molecule on Mild Steel in Acidic Solution: Experimental and Theoretical Study p-136 Esra Sengün Turkey Nigde University Theoretical and Experimental Studies on Some Thiosemicarbazide Derivatives the Corrosion of Mild Steel in Hydrochloric Acid p-138 Fikrican Dilek Turkey Nigde University Bent Rule: Theoretical Studies of PCl 5, PCl 4 Br, PCl 3 Br 2, PCl 2 Br 3, p-139 Dilan Balcı Turkey 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 + p-140 Arzu Ekinci Turkey Siirt University Investigation of N,N' Ethylenebis (salicylideneimine) - 1,8 - PCl 4 Br diamino octane Schiff Base Derivative with Computational Studies 1 H-NMR and

11 p-141 Fatemeh Azarakhshi Iran 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 p-142 Elham Pournamdari Iran 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 Theoritical Investigation on NBO Analysis, IR Data and NMR Spectra of (GaN) 4 Nanosemiconductors Ab Initio Study of Thermodynamic Properties, IR Spectra and NBO Analysis of Cu 4 O 3 H 2 Nanosemiconductor p-144 Mohammad Mousavi Iran Islamic Azad University. Investigated of Microtubule Inhibitors Vinblastine and Vincristine by DFT, Ab Initio and Møller Plesset Theory p-145 Najam Naqvi China Northwestern Polytechnical University Mathematical Modeling and Analysis of Short Baseline GNSS Phase Based Attitude Determination of Satellite Design, Mathematical Modeling and Simulation of Positioning Algorithm Using Raw Global Navigation Satellite System Signal p-146 Çiğdem Şahin Turkey Nigde University Experimental and Theoretical Study of Organic Azo Dye, Maxilon Red Grl, as Corrosion Inhibitor for Mild Steel in 1.0 M HCl p-147 Jamshid Najafpour Iran Islamic Azad University Alkali Metal Cations/Crown Ethers (12c4 and 15c5) Complexes: Charge Density Analysis Atomic Origin of the Partial Molar Volume in Binary Mixtures I. Carbon Disulfide-Acetone and Methanol-Ethanol p-148 Burcu Malgaç Turkey Nigde University Theoretical Study on Some Bis(Amino)Phosphine Derivatives p-149 Tamer Kamış Turkey Sakarya University Ab initio Calculation of the Electronic and Dynamical Properties of the ZrC(001)-(1 1) Surface

12 p-150 Yunus Kaya Turkey Uludag University 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 A Numerical Approach for Solving Lane-Emden Type Differantial- Difference Equations p-152 Ayşe Anapalı Turkey Mugla University Numerical Approach for Solving Fractional Bagley-Torvik Equations p-153 Ali Azarbar Iran Islamic Azad University Adaptive Processing in Antenna Array Using One Single Snapshot with Mutual Coupling p-154 Boutebba Souheila Algeria Université de Jijel Heat Transfer Modeling in Gas-Filled Lamp p-155 İsa Sıdır Turkey Bitlis Eren University Ab initio HF and DFT Computational Studies on Heptachlor Structure-Activity Relationships for Novel Drug Precursor N- Substituted-6-Acylbenzothiazolon Derivatives: a Theoretical Approach p-156 Salih Çınaklı Turkey Erciyes University 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 DFT Study of Cage Pt x B y (CO) m (x+y 6, m x+y) Complexes p-158 Lokman Uludag Turkey Nigde University Inhibitive Properties and Quantum Chemical Studies of 3- methoxyphenyl-3-thiosemicarbazide on Mild Steel Corrosion in HCl p-159 Eşe Akpınar Ergün Turkey Suleyman Demirel University The Investigation of the Martensite Phase Transformation in Fe1- xnix Alloys by Molecular Dynamics Simulation p-160 Fatih Keçeci Turkey Nigde University Fukui Functions of Benzene Derivatives p-161 Şuayip Yüzbaşı Turkey Mugla University A Shifted Legendre Approach with Residual Error Estimation for Delay Linear Fredholm Integro-Differential Equations p-162 Özgül İlhan Turkey Mugla University On Morgan-Voyce Polynomials Approximation for Linear Neutral Delay Differential Equations

13 p-163 Zohreh Jamali Iran Islamic Azad University Computational Study of Inhibitor of BACE1 by AB initio and Density Functional Theory p-164 Hooria Seyedhosseini Ghaheh Iran Islamic Azad University Bio-Nano Modeling of Carbon Nanotube Binding to Amino Acids Using by Computational Method p-166 Ali Reza Ilkhani Iran Islamic Azad University 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 Molecular Structure, Vibrational Spectra, First Order Hyper Polarizability, NBO and Homo-Lumo Analysis of 1-methyl-6-nitro- 1H-benzimidazole p-168 Wahiba Kaabar Algeria Constantine University Numerical Fluid Dynamics Modeling of Ultraviolet Water Disinfection p-170 Naghmeh Ezzati Iran Islamic Azad University Nanomolecular Simulation of the Sodium and Potassium Channels Proteins and Compare It,Using Qm/Mm Methods p-171 Saharnaz Ahmadi Iran, Islamic Azad University Nano Theoretical Studies of AQUAPORIN-4 (AQP4M23) with Different Concentrations of Water p-172 Gholam Hossein Shafiee Iran Islamic Azad University Atomic Origin of the Partial Molar Volume in Binary Mixtures II. Chloroform-Acetone and Benzene-Toluene p-173 Roya Tati Iran Islamic Azad University Anti Cancer Nano Biotechnology of Borago Officinalis and Ginger Properties by Molecular Mechanic Methods p-174 Arina Rahimi Iran Islamic Azad University Thermodynamic Study Etravirine in Variouse Dielectrics by Density Functional Theory and Ab Initio in Several Temperatures p-175 Murat Saraçoğlu Turkey Erciyes University Etm and Ann Study for Polysubstituted 2h-Pyran-2-Ones p-176 Siti Hana Abu Bakar Malaysia University Malaysia Pahang Molecular Dynamic Simulation for Patchouli Oil Extraction Processes p-177 Yasemin Çiftci Turkey Gazi University The Investigation of Physical Properties of LaC 2 Compound: First Principles Study p-179 Hamed Chegini Iran Islamic Azad University Nuclear Magnetic Resonance Investigation of EV6, Etravirine, Vinblastine and vincristine by Density Functional Theory (DFT)

14 p-180 Seyed Mohammad Shoaei Iran Islamic Azad University Synthesis, FT-IR Spectra and DFT Calculations on Sterically Congested 2,2-disubstituted indane-1,3-dione Derivatives Digital Simulation of the Cyclic Voltammetry Study of the of Catechols in the Presence of Dimethyl Phosphate Density Functional Theory (DFT) Outlook of Biological Active Site Junction to Single Walled Carbon Nano Tube p-181 Yasaman Eftekhari Iran Islamic Azad University Nano Molecular Extraction of Medicinal Plants; Such as Eryngium Caeruleum Investigation of QM\MM Methods p-182 Leila Kharghanian Iran Islamic Azad University Ab initio Study of Carbon Nanotube Amino Functionaliezed Acid as a Drug Delivery System p-183 Emrah Gök Turkey Mugla University Residual Correction of the Hermite Polynomial Solutions of the Generalized Pantograph Equations p-184 Mohammed Amin Egypt Taif University 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 Ab initio Calculations of Structural, Elastic, Magnetic and Electronic Properties of Ferromagnetic CmP under Pressure p-189 Mehmet Bulut Turkey Gaziantep University Free Vibration ff Composite Plates pith Cut-Outs p-190 Hina Arshad Pakistan Institute of Space Technology Design, Modeling and Simulation of J2 Orbit Propagator for CUBESAT Mathematical Analysis of Attitude Estimation Schemes for Nanosatellites p-191 Nima Karachi Iran Institute of Space Technology Theoretical Investigation of Carbon Nanotube Binding to DNA and its Future Prospects p-192 Maryam Seyed hosseini Iran Institute of Space Technology Computational Study of Physical Chemistry Properties of B16 N16 Nanotubs and Nano Tube Field Spliiting in B16N16-X (X=transition metal ion)

15 p-193 Hamideh Yamola Iran Institute of Space Technology DFT Studies of Interaction between Main Group Metals and B9N9 Nanocone using by Electron Paramagnetic Resonance (EPR) p-195 Mojgan Hosein zadeh Iran Institute of Space Technology Invistegation of Jahn-Teller effect on(cuf6)4- Cluster by QM theory p-196 Masoomeh Fadaean Iran Institute of Space Technology Investigated of Gragh Theory on Carbon Nanotubes by DFT p-197 Nastaran Asghari moghadam Iran Institute of Space Technology Theoretical İnvestigation of P53 Structures and İnteractions