July 09, Chairman II. Prof. Daryono Hadi Tjahjono Chairman I

Size: px
Start display at page:

Download "July 09, 2012. Chairman II. Prof. Daryono Hadi Tjahjono. 11.30-12.00 Chairman I"

Transcription

1 July 09, Registration of Participants Opening Ceremony Place: Conference Room Break Chairman I Prof. Dr. Fatma Kandemirli Chairman II Prof. Daryono Hadi Tjahjono Chairman I Prof. Daryono Hadi Tjahjono Chairman II Prof. Dr. Fatma Kandemirli Plenary Lecturer Prof. Dr. Majid Monajjemi A Novel Concept of BnNn Nano Molecular Motor Rings as a Bio Molecular Detectoer Plenary Lecturer Prof. Dr. Ziya Burhaneddin Güvenç (Çankaya University) Computational Studies on Atom/Molecule Interactions with Crystal/Cluster Surfaces Lunch Plenary Lecturer Prof. Dr. Toshihiko Kobayashi (The University of Tokyo) Global Trends of Pharmaceutical Industry and Drug Discovery Chairman I Prof. Dr. Majid Prof. Daryono Hadi Tjahjono Monajjemi (Bandung Institute of Technology) CHARGE DISTRIBUTION IN MN-PORPHYRINS: EFFECT TO BIOLOGICAL ACTIVITY Chairman II Prof. Philippe A. Bopp Prof. Dr. Osman (Universite de Bordeaux) Serindağ Molecular Simulations as a Unifying Tool in Physics and Chemistry Prof. Khairurrijal Khairurrijal (Bandung Institute of Technology) A Computational Study of Electron Direct Tunneling Current in TiNx-HfSiOxN SiO 2 -Si(100) High-K MOS Capacitors

2 Break Poster Section I Place: Conference Room 1 Chairman: Prof. Dr. İsmail Yalçın Prof. Dr. Esin Akı (Ankara University) Structure Based Drug Design Methods Jutti Levita (Universitas Padjadjaran) A Molecular Modeling Study of PPAR- γ modulators Ali Saifolah Zade Calculation healing time in self-healing material Place: Conference Room 2 Chairman: Assoc. Prof. Dr. Taner Arslan Prof. Dr. Zoran Markovic (State University of Novi Pazar) Investigation of the Hat and Set-Pt Antioxidative Mechanisms of Quercetin Assoc. Prof. Dr. Jørgen Houe Pedersen (Aalborg University) A Computational Chemistry Study of Atrazine Volkan Türkmen (Gaziantep University) Computer Design & Theoretical Investigation of Flavonoids Derivatives as Anticancer Drugs Place: Conference Room 3 Chairman: Assoc. Prof. Dr. Mustafa Böyükata Assist. Prof. Dr. İsmail Hakkı Sarpün (Afyon Kocatepe University) Computational Methods in Nuclear Physics Assoc. Prof. Dr. Nina Tuncel (Akdeniz University) The Computational Methods in Medical Physics Ali Bakhtyari (Persian Gulf University) Prediction of Nitrogen/Methane Adsorption Selectivity on Commercial Adsorbents Hamed Chegini Nevin Uras Aytemiz (Suleyman Demirel University) Hacı Özışık (Aksaray University) Nuclear Magnetic Resonance Investigation of EV6, Etravirine, Vinblastine and vincristine by Density Functional Theory (DFT) Theoretical Techniques for Some of the Atmospheric Problems Mudasir Mudasir (Gadjah Mada University) AB Initio Calculations on Yttrium Sesquioxide (Y 2 O 3 ) Engin Ateşer (Aksaray University) Design of New Insecticides of Organophosphate Derivatives AB Initio Study of Palladium Carbide (PdC) Compound Based on QSAR Analytical Model Mehmet Bulut (Gaziantep University) Dinner Free Vibration of Composite Plates with Cut-outs

3 July 10, 2012 Plenary Lecturer Prof. Dr. Eno Ebenso (North West University) Quantum Chemical Investigations on Quinoline Derıvatives as Effective Corrosion Inhibitors for Mild Steel in Acidıc Medium Chairman I Prof. Khairurrijal Khairurrijal Plenary Lecturer Prof. Dr. İsmail Yalçın (Ankara University) Computational Methods in Rational Drug Design Chairman II Prof. Philippe A. Bopp Prof. Naoki Yoshioka (Keio University) Computational Study of Magnetic properties of Self-Assembled Open-Shell Molecular Systems Break Place : Conference Room 1 Chairman: Assoc. Prof. Dr. Ercan Demirtaş Dr. Yee Siew Choong (University Sains Malaysia) Rational Drug Design of Peroxisome Proliferator-Activated Receptors-γ Activators Toward the Treatment of Type II Diabetes Mellitus Muhammad Arba (Bandung Institute of Technology) In Silico Study of the Binding Mode of Cationic Porphyrin- Anthraquinone Hybrids To DNA Duplexes Muhammad Aswad (Hasanuddin University) Molecular Docking Study of Alfa Glucisidase with Quercetin Derivatives Place: Conference Room 2 Chairman: Prof. Naoki Yoshioka Rahele Hasani Nanotechnology Approach on Anticancer Properties of Consolida Sp.: the Study of NBO (Natural Bond Orbital) Hooria Seyedhosseini Ghaheh Bio-Nano Modeling of Carbon Nanotube Binding to Amino Acids Using by Computational Method Ali Reza Ilkhani Investigation on Electrical Properties of Single Walled Carbon Nanotubes in Different Solvents: Ab initio Study Place: Conference Room 3 Chairman: Asist. Prof. Dr. Alper Başaran Suha Orçun Mert (Ege University) Genetic Algorithm Based Multi-Objective Optimization for Fuel Cell Applications Asif Ali Shaikh (Mehran University) Comparision Through Finite Element Simulation of Newtonian and Non-Newtonian Fluids Past an Irregular Obstacle Elrasheed Ismail Mohommoud Zayid (Cukurova University) Computing and Estimating the Performance Measures of a Message Passing Multiprocessor Architecture by Using Artificial Neural Networks

4 Sophi Damayanti (Bandung Institute of Technology) Interaction Study of O-Desmethylquinine as a COX-2 Receptor Inhibitor Rahmana Emran Kartasasmita (Bandung Institute of Technology) Reactivity and Stability Studies of Antioxidants TBHQ, BHT and BHA Applying PM3 Computational Method Naghmeh Ezzati Nanomolecular Simulation of the Sodium and Potassium Channels Proteins and Compare It,Using Qm/Mm Methods Saharnaz Ahmadi Nano Theoretical Studies of AQUAPORIN-4 (AQP4M23) with Different Concentrations of Water Amir Poorsadeg Zadeh Yeganeh (Çukurova University) A Novel Swarm-Based Approach To Color Quantization Ayşe Anapalı (Mugla University) Numerical Approach for Solving Fractional Bagley-Torvik Equations Fatmawati Adam (Pahang University of Malaysia) Roya Tati Mahboubeh Taherkhani Molecular Recognition of 2,6-Dihydroxybenzoic Acid Polymorph in Ethanol, Methanol and p-xylene Solution Anti Cancer Nano Biotechnology of Borago Officinalis and Ginger Properties by Molecular Mechanic Methods Yasaman Eftekhari Nano Molecular Extraction of Medicinal Plants; Such as Eryngium Caeruleum Investigation of QM\MM Methods Nanotechnology Approach on Anticancer Properties of Artemisinin Mustafa Böyükata (Bozok University) Effect of Single Metal Doping on Size Dependent Structural And Energetic Changes of Boron Clusters: DFT Study Lunch Place : Conference Room 1 Chairman: Prof. Dr. Osman Serindağ Murat Alper Başaran (Akdeniz University) Comparision Study of Classic QSAR and Fuzzy QSAR Place : Conference Room 2 Chairman: Prof. Hermawan K. Dipoyono Masoomeh Fadaean (İslamic Azad University) Investigated of gragh theory on carbon nanotubes by DFT Place : Conference Room 3 Chairman: Prof. Dr. Murat Alp Amir Poorsadeg Zadeh Yeganeh (Çukurova University) Two Dimensional Shape Allocations with Artificial Bee Colony Morteza Vahedpour (University of Zanjan) Computational Study on the Mechanism of the Gas Phase CO and HO2 Reaction Hajar Fathalizadeh Kinetic and thermodynamic study of translation property on chemical drugs using by different compounds calix[4]arene Mohammad Mousavi Hamideh Yamola (İslamic Azad University) DFT Studies of Interaction between Main Group Metals and B9N9 Nanocone using by Electron Paramagnetic Resonance (EPR) Maryam Seyed Hosseini (İslamic Azad University) 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) Özgül İlhan (Mugla University) On Morgan-Voyce Polynomials Approximation for Linear Neutral Delay Differential Equations Burcu Gürbüz (Mugla University) A Numerical Approach for Solving Lane-Emden Type Differantial-Difference Equations Şuayip Yüzbaşı (Mugla University)

5 Investigated of Microtubule Inhibitors Vinblastine and Vincristine by DFT, Ab Initio and Møller Plesset Theory Jamshid Najafpour Alkali Metal Cations/Crown Ethers (12c4 and 15c5) Complexes: Charge Density Analysis Zohreh Jamali Computational Study of Inhibitor of BACE1 by AB initio and Density Functional Theory Jamshid Najafpour Atomic Origin of the Partial Molar Volume in Binary Mixtures I. Carbon Disulfide-Acetone and Methanol-Ethanol Elham Pournamdari Ab Initio Study of Thermodynamic Properties, IR Spectra and NBO Analysis Of Cu 4 O 3 H 2 Nanosemıconductor Theoretical Investigation of Carbon Nanotube Binding to DNA and its future prospects Reza Rasoolzadeh Comparison Free Energy Binding Sites Neuraminidase in Different Dielectrics &Tempreatures, Using Molecular Dynamic and Monte Carlo for Nano Drug Design Leila Kharghanian Ab initio Study of Carbon Nanotube Amino Functionaliezed Acid as a Drug Delivery System Elham Rastkhah Monte Carlo Simulation Investigation on Nanotube Carbon properties of membranes: by the Monte Carlo Method Mahsa Zawari Langevin Dynamic Simulation study on Nanotube Carbon properties of membranes, by QM/MM Method A Shifted Legendre Approach with Residual Error Estimation for Delay Linear Fredholm Integro-Differential Equations Urwatul Wutsqa Dhoriva (Yogyakarta State University) Modeling Islamic Lunar Calendar Effect in Tourism Data of Prambanan Temple by Using Neural Networks and Fuzzy Models Mehmet Tarık Atay (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 Ali Azarbar Adaptive Processing in Antenna Array Using One Single Snapshot with Mutual Coupling Hina Arshad (Institute of Space Technology) Mathematical analyses of attitude estimation techniques for nanosatellites Najam Naqvi (Northwestern Polytechnical University) Design, Mathematical Modeling and Simulation of Positioning Algorithm Break Poster Section II Place : Conference Room 1 Chairman: Prof. Dr. Zoran Markovic Prof. Hermawan K. Dipoyono (Bandung Institute of Technology) Photocatalytic Mechanism and Properties of TIO2 Anatase Doped with Nitrogen and 3D-Transition Metals: A Density Functional Theory Based Computational Study Place : Conference Room 2 Chairman: Prof. Dr. Toshihiko Kobayashi Prof. Norio Matsushima (Sapporo Medical University) Molecular Evolution of Toll-like Receptors 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

6 Nastaran Asghari moghadam Theoretical investigation of P53 structures and interactions Mohammed Amin (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 Arina Rahimi Thermodynamic Study Etravirine in Variouse Dielectrics by Density Functional Theory and Ab Initio in Several Temperatures Najam Naqvi (Northwestern Polytechnical University) Mathematical Modeling and Analyses of Short Baseline GNSS Based Attitude Determination of Satellite Hina Arshad (Institute of Space Technology) Design, modeling and simulation of j2 orbit propagator for CUBESAT Dinner July 11, 2012 Place : Conference Room 1 Chairman: Prof. Dr. Eno Ebenso Plenary Lecturer Prof. Dr. Fatma Kandemirli (Nigde University) Theoretical Uv Study of Isatin Thiosemicarbazone Derivatives and Their Metal Complexes Place : Conference Room 2 Chairman: Prof. Dr. Esin Akı Dr. Supat Jiranusornkul (Chiang Mai University) Improving the Binding Affinity of a Designed Zinc Finger Protein by Molecular Dynamics Simulation Place : Conference Room 3 Chairman: Assoc. Prof. Dr. Jørgen Houe Pedersen Assoc. Prof. Dr. Özgür Alver (Anadolu University) Experimental and Theoretical Vibrational Analyses and Molecular Conformations of Nocodazole 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 Digital Simulation of the Cyclic Voltammetry Study of the of Catechols in the Presence of Dimethyl Phosphate Reza Rasoolzadeh 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 2-aminothieno[2,3- D]pyrimidine Derivatives as Hsp90 Inhibitor Luís Pinto da Silva (University of Porto) TD-DFT/MM Studies of the Firefly Bioluminescence Phenomenon Dr. Cihan Parlak (Abant İzzet Baysal University) Magnetic, Electronical and Lattice Dynamical Properties of Iron-Based Superconductor CeFeAsO from First Principles

7 Mojgan Hosein Zadeh (İslamic Azad University) Invistegation of Jahn-Teller effect on(cuf6)4- cluster by QM theory Anoosh Eghdami Investigation of physicochemical properties of vinblastine as a chemotherapeutic drug Halil Arslan (Sakarya University) Investigation of the Zenith Angle Dependence of Cosmic Muons at Sea Level by Geant4 Simulation Package Seyed Mohammad Shoaei Synthesis, FT-IR Spectra and DFT Calculations on Sterically Congested 2,2- disubstituted indane-1,3-dione Derivatives Anita Salamat Computational Calculations for Finding Stable Modeles of F(Cnt) in Combination of Drugs Bashar Mudhaffar Abdullah (National University of Malaysia) Gas Chromatography Analysis of Separation Linoleic and Oleic Acids Siti Hana Abu Bakar (University Malaysia Pahang) 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 (AI Ib) with UVES Spectra Moussab Harb (Kingdom of Saudi Arabia) Molecular Dynamic Simulation for Patchouli Oil extraction Processes Mehmet Tarık Atay (Nigde University) Visible-Light Responsive N- and C-Doped TiO2 Photocatalysts: DFT Insights on the Chemical and Electronic Origin of the Optical Improvement in the Visible Region The Semi-Analytical Solutions for HIV and Fatal Disease Models by Using Variational Iteration Method and Modified Variational Iteration Methods Morteza Vahedpour (University of Zanjan) Gas Phase Mechanistic Study on the of Ozone and HS Radical Reaction Ali Saifolah Zade Computing the optimum porosity in hollow fiber applied in self-healing polymers Break Closing Lunch Nigde Tour

8 POSTER SECTION 1 Monday, July 09, 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-(4- methylbenzoxy)benzyliden amino]-4,5-dihydro-1h-1,2,4-triazol-5-ones Molecule

9 18. Halil Gökce (Suleyman Demirel University) 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 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 Dy Isotopic Nucleus by Using Collective Excitation Modes 26. Hajar Fathalizadeh Quantum mechanical investigation of basis set effects on the NMR chemical shielding tensors data of calix[4]arene 27. Anita Salamat Study of Combination of Gleevec and SWCNTs in different ph for Future Clinical Purposes 28. Maryam Ghorbani Rad Nanoparticles silica supported antimony pentachlorid (NPs SiO2- SbCl5): a solid phase acidic catalyst for synthesis of pyrazolopyranopyrazoles 29. Nasrin Zeighami 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 PCl 5, PCl 4 Br, PCl 3 Br 2, PCl 2 Br 3, PCl 4 Br 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 Arzu Ekinci (Siirt University) Investigation of N,N Ethylenebis (salicylideneimine) 1,8 diamino octane Schiff Base Derivative with 1 H-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

10 38. Neslihan Kaya Kınaytürk (Suleyman Demirel University) Molecular Structure, Vibrational Spectra, First Order Hyper Polarizability, NBO and Homo-Lumo Analysis of 1-methyl-6-nitro- 1H-benzimidazole 39. Wahiba Kabar (Constantine University) Numerical Fluid Dynamics Modeling of Ultraviolet Water Disinfection 40. Gholam Hossein Shafiee 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 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 Hermodynamic and Bioinformatics Study of Insulin uptake to Skin by Micro Calorimeter and QM/MM Methods 45. Uğur Umut Eser (Nigde Universty) Theoretical Study on Some Bis(Amino)Phosphines Derived 4-Benzyl Piperidine 46. Halil İ. A. Gökçe (Nigde University) Theoretical Study on Some Bis(Amino)Phosphines Derived 4-Methyl Piperidine

11 POSTER SECTION 2 Tuesday, July 10, 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 Nano Study of TSGA10 Protein Structure,Using Molecular Mechanics Methods 4. Mine Balcı (Suleyman Demirel University) The Auto-Ionization Process of HNO 3 in Water Clusters 5. Eno E. Ebenso (North West University) Theoretıcal And Experımental Studıes On Some Furfural Aldehyde Derıvatıves As Corrosıon Inhıbıtors For Mıld Steel In Acıdıc Medıum 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

12 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 Langevin Dynamic Simulation Investigation on Nanotube Carbon properties of membranes, using by molecular mechanics Method 26. Mahsa Zawari Monte Carlo Simulation Investigation on Nanotube Carbon properties of membranes with Computational Method 27. Leila Afchangi Computational Simulation Studies on Multi-wall Nano-cell by Monte Carol Method 28. Maryam Falahati Computational Study on Alcohol Nano Sensors in Combination with Carbon Nanotube; A Monte Carlo and Ab Initio Calculations 29. Fatemeh Azarakhshi 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 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 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 (Bozok 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

13 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 Some Transition Metal Complexes With Mixed Ligands 42. Fereshteh Amiri Tavasoli Ab initio NMR Nano Comparative Stadies of Three Novels Nitro Aryl Indole Kojic acid 43. Narges Najafloo Computational Nano Study on Structure and Dynamics of Na and Ca channels proteins 44. Ahmad Alaei Simulation and Study of Water and Ions from Neuronic Cell Membranes by AQP5 BY QM/MM 45. Mostafa Hamid, (University of Mut), Modeling the Micro Vascular Networks for Self-Healing of Composite Structure 46. Tejeshwori Salam, (North Eastern Hill University), Computational Calculation on alkyltransferase of alkylated Mutagenic DNA Bases 47. Nejla Özbey (Bozok University) DFT Study of Cage PtxBy(CO)m (x+y 6, m x+y) Complexes 48. Ida Musfiroh (Universitas Padjadjaran) Study of Asiatic Acid as Anti-Inflammation: Molecular Docking Simulation and Pharmacophore Analysis 49. Ruslin (Bandung Institute of Technology) In Silico Study of a Leonurine-Arginine Derivative as a Lead Compound for Anti Cancer Agent 50. Mahboubeh Taherkhani (Islamic Azad University ) Nanotechnology Approach on Anticancer Properties of Tehranolide 51. Milad Matoor Lafteh (Persian Gulf University), Mutual Diffusion Coefficients Of Concentrated 1:1 Electrolyte From The Modified Robinson-Stokes Equation 52. Alireza Khatami (Persian Gulf University) Modeling Of Catalytic Reactor Activity Loss In The Conversion Of Methanol To Light Olefins With Detailed Kinetic By Using Percolation Theory 1.

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

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

More information

Session 8 QSAR/QSPR. A mathematical relationship must be found between the structures and the properties. Chemistry Today: A Different View

Session 8 QSAR/QSPR. A mathematical relationship must be found between the structures and the properties. Chemistry Today: A Different View Session 8 QSAR/QSPR 1 Chemistry Today: A Different View CORRELATE INTERPRET Desired Properties Biological Activity (pharmaceuticals) Environmental fate (polymers, insecticides) MEASURE SIMULATE SYNTHESIZE

More information

CNAS ASSESSMENT COMMITTEE CHEMISTRY (CH) DEGREE PROGRAM CURRICULAR MAPPINGS AND COURSE EXPECTED STUDENT LEARNING OUTCOMES (SLOs)

CNAS ASSESSMENT COMMITTEE CHEMISTRY (CH) DEGREE PROGRAM CURRICULAR MAPPINGS AND COURSE EXPECTED STUDENT LEARNING OUTCOMES (SLOs) CNAS ASSESSMENT COMMITTEE CHEMISTRY (CH) DEGREE PROGRAM CURRICULAR MAPPINGS AND COURSE EXPECTED STUDENT LEARNING OUTCOMES (SLOs) DEGREE PROGRAM CURRICULAR MAPPING DEFINED PROGRAM SLOs Course No. 11 12

More information

Note: See beginning of Section F for abbreviations, course numbers and coding.

Note: See beginning of Section F for abbreviations, course numbers and coding. CHEM CHEMISTRY Note: See beginning of Section F for abbreviations, course numbers and coding. CHEM 1041 General Chemistry I 3 ch (3C 1T) Introductory course designed primarily for B.Sc. students. Topics

More information

Chapter 5 Classification of Organic Compounds by Solubility

Chapter 5 Classification of Organic Compounds by Solubility Chapter 5 Classification of Organic Compounds by Solubility Deductions based upon interpretation of simple solubility tests can be extremely useful in organic structure determination. Both solubility and

More information

Ultraviolet Spectroscopy

Ultraviolet Spectroscopy Ultraviolet Spectroscopy The wavelength of UV and visible light are substantially shorter than the wavelength of infrared radiation. The UV spectrum ranges from 100 to 400 nm. A UV-Vis spectrophotometer

More information

Chemistry. CHEMISTRY SYLLABUS, ASSESSMENT and UNIT PLANNERS GENERAL AIMS. Students should be able to

Chemistry. CHEMISTRY SYLLABUS, ASSESSMENT and UNIT PLANNERS GENERAL AIMS. Students should be able to i CHEMISTRY SYLLABUS, ASSESSMENT and UNIT PLANNERS GENERAL AIMS Students should be able to - apply and use knowledge and methods that are typical to chemistry - develop experimental and investigative skills,

More information

CH101 Course Outline with Learning Outcomes

CH101 Course Outline with Learning Outcomes CH101 Course Outline with Learning Outcomes Staff: Dr. Fawaz Aldabbagh, Dr. David Cheung, Dr. Paul Kavanagh, Dr. Luca Ronconi (Coordinator) Module overview and general aims This Module lays a broad foundation

More information

CHAPTER 10: INTERMOLECULAR FORCES: THE UNIQUENESS OF WATER Problems: 10.2, 10.6,10.15-10.33, 10.35-10.40, 10.56-10.60, 10.101-10.

CHAPTER 10: INTERMOLECULAR FORCES: THE UNIQUENESS OF WATER Problems: 10.2, 10.6,10.15-10.33, 10.35-10.40, 10.56-10.60, 10.101-10. CHAPTER 10: INTERMOLECULAR FORCES: THE UNIQUENESS OF WATER Problems: 10.2, 10.6,10.15-10.33, 10.35-10.40, 10.56-10.60, 10.101-10.102 10.1 INTERACTIONS BETWEEN IONS Ion-ion Interactions and Lattice Energy

More information

13C NMR Spectroscopy

13C NMR Spectroscopy 13 C NMR Spectroscopy Introduction Nuclear magnetic resonance spectroscopy (NMR) is the most powerful tool available for structural determination. A nucleus with an odd number of protons, an odd number

More information

S block elements p block elements and chemical bonding -1

S block elements p block elements and chemical bonding -1 S block elements p block elements and chemical bonding -1 1.Group I elements do not occur free (native state) in the nature because a. They are unstable b. Their compounds with other elements are highly

More information

Matter, Materials, Crystal Structure and Bonding. Chris J. Pickard

Matter, Materials, Crystal Structure and Bonding. Chris J. Pickard Matter, Materials, Crystal Structure and Bonding Chris J. Pickard Why should a theorist care? Where the atoms are determines what they do Where the atoms can be determines what we can do Overview of Structure

More information

Lecture Overview. Hydrogen Bonds. Special Properties of Water Molecules. Universal Solvent. ph Scale Illustrated. special properties of water

Lecture Overview. Hydrogen Bonds. Special Properties of Water Molecules. Universal Solvent. ph Scale Illustrated. special properties of water Lecture Overview special properties of water > water as a solvent > ph molecules of the cell > properties of carbon > carbohydrates > lipids > proteins > nucleic acids Hydrogen Bonds polarity of water

More information

Molecular Dynamics Simulations

Molecular Dynamics Simulations Molecular Dynamics Simulations Yaoquan Tu Division of Theoretical Chemistry and Biology, Royal Institute of Technology (KTH) 2011-06 1 Outline I. Introduction II. Molecular Mechanics Force Field III. Molecular

More information

Applications of Quantum Chemistry HΨ = EΨ

Applications of Quantum Chemistry HΨ = EΨ Applications of Quantum Chemistry HΨ = EΨ Areas of Application Explaining observed phenomena (e.g., spectroscopy) Simulation and modeling: make predictions New techniques/devices use special quantum properties

More information

Suggested solutions for Chapter 3

Suggested solutions for Chapter 3 s for Chapter PRBLEM Assuming that the molecular ion is the base peak (00% abundance) what peaks would appear in the mass spectrum of each of these molecules: (a) C5Br (b) C60 (c) C64Br In cases (a) and

More information

Studying an Organic Reaction. How do we know if a reaction can occur? And if a reaction can occur what do we know about the reaction?

Studying an Organic Reaction. How do we know if a reaction can occur? And if a reaction can occur what do we know about the reaction? Studying an Organic Reaction How do we know if a reaction can occur? And if a reaction can occur what do we know about the reaction? Information we want to know: How much heat is generated? How fast is

More information

COURSE TITLE COURSE DESCRIPTION

COURSE TITLE COURSE DESCRIPTION COURSE TITLE COURSE DESCRIPTION CH-00X CHEMISTRY EXIT INTERVIEW All graduating students are required to meet with their department chairperson/program director to finalize requirements for degree completion.

More information

Chemistry INDIVIDUAL PROGRAM INFORMATION 2015 2016. 866.Macomb1 (866.622.6621) www.macomb.edu

Chemistry INDIVIDUAL PROGRAM INFORMATION 2015 2016. 866.Macomb1 (866.622.6621) www.macomb.edu Chemistry INDIVIDUAL PROGRAM INFORMATION 2015 2016 866.Macomb1 (866.622.6621) www.macomb.edu Chemistry PROGRAM OPTIONS CREDENTIAL TITLE CREDIT HOURS REQUIRED NOTES Associate of Science Chemistry 64 CONTACT

More information

ATOMS AND BONDS. Bonds

ATOMS AND BONDS. Bonds ATOMS AND BONDS Atoms of elements are the simplest units of organization in the natural world. Atoms consist of protons (positive charge), neutrons (neutral charge) and electrons (negative charge). The

More information

Department of Chemistry College of Science Sultan Qaboos University. Topics and Learning Outcomes

Department of Chemistry College of Science Sultan Qaboos University. Topics and Learning Outcomes Department of Chemistry College of Science Sultan Qaboos University Title : CHEM 3326 (Applied Spectroscopy) Credits : 3 Course Format : 2 lectures and 2 tutorials Course Text : Spectrometric Identification

More information

CHEMISTRY STANDARDS BASED RUBRIC ATOMIC STRUCTURE AND BONDING

CHEMISTRY STANDARDS BASED RUBRIC ATOMIC STRUCTURE AND BONDING CHEMISTRY STANDARDS BASED RUBRIC ATOMIC STRUCTURE AND BONDING Essential Standard: STUDENTS WILL UNDERSTAND THAT THE PROPERTIES OF MATTER AND THEIR INTERACTIONS ARE A CONSEQUENCE OF THE STRUCTURE OF MATTER,

More information

Quantum Molecular Design of Drugs

Quantum Molecular Design of Drugs Page1 W H I T E P A P E R Quantum Molecular Design of Drugs An In Silico Approach to Drug Discovery and Design in Novel Molecular Space Cloud Pharmaceuticals, Inc. 6 David Drive Research Triangle Park,

More information

Anatomy and Physiology Placement Exam 2 Practice with Answers at End!

Anatomy and Physiology Placement Exam 2 Practice with Answers at End! Anatomy and Physiology Placement Exam 2 Practice with Answers at End! General Chemical Principles 1. bonds are characterized by the sharing of electrons between the participating atoms. a. hydrogen b.

More information

These instructions are for a classroom activity which supports OCR A Level Chemistry A.

These instructions are for a classroom activity which supports OCR A Level Chemistry A. Lesson Element Keyword activities Instructions for teachers These instructions are for a classroom activity which supports OCR A Level Chemistry A. Just a minute! To run this activity you will need a set

More information

What is molecular dynamics (MD) simulation and how does it work?

What is molecular dynamics (MD) simulation and how does it work? What is molecular dynamics (MD) simulation and how does it work? A lecture for CHM425/525 Fall 2011 The underlying physical laws necessary for the mathematical theory of a large part of physics and the

More information

Benzene Benzene is best represented as a resonance hybrid:

Benzene Benzene is best represented as a resonance hybrid: Electrophilic Aromatic Substitution (EAS) is a substitution reaction usually involving the benzene ring; more specifically it is a reaction in which the hydrogen atom of an aromatic ring is replaced as

More information

Departments and Specializations

Departments and Specializations Departments and Specializations Department Post Specialization Areas Aerospace Engineering: Only candidates with a clear focus on one or more of the specified areas will be considered Experimental Structural

More information

Table of contents. Bibliografische Informationen http://d-nb.info/1006571213. digitalisiert durch

Table of contents. Bibliografische Informationen http://d-nb.info/1006571213. digitalisiert durch 1. Research scope: The role of structure rigid'tf'ication in nature and chemistry 1 2. Establishing a Dha=Tap backbone scan in order to elucidate structural properties of the N-terminusofNPY 5 2.1 Introduction.

More information

Chemistry Notes for class 12 Chapter 13 Amines

Chemistry Notes for class 12 Chapter 13 Amines 1 P a g e Chemistry Notes for class 12 Chapter 13 Amines Amines constitute an important class of organic compounds derived by replacing one or more hydrogen atoms ofnh 3 molecule by alkyl/aryl group(s).

More information

Prentice Hall. Chemistry (Wilbraham) 2008, National Student Edition - South Carolina Teacher s Edition. High School. High School

Prentice Hall. Chemistry (Wilbraham) 2008, National Student Edition - South Carolina Teacher s Edition. High School. High School Prentice Hall Chemistry (Wilbraham) 2008, National Student Edition - South Carolina Teacher s Edition High School C O R R E L A T E D T O High School C-1.1 Apply established rules for significant digits,

More information

Chapter 2: Atoms, Molecules & Life

Chapter 2: Atoms, Molecules & Life Chapter 2: Atoms, Molecules & Life What Are Atoms? An atom are the smallest unit of matter. Atoms are composed of Electrons = negatively charged particles. Neutrons = particles with no charge (neutral).

More information

Careers in Chemistry. 400-Level Classes in Chemistry. Undergrad Research Opportunities

Careers in Chemistry. 400-Level Classes in Chemistry. Undergrad Research Opportunities Careers in Chemistry 400-Level Classes in Chemistry Undergrad Research Opportunities Careers in Chemistry Employment & Salary Data Median salaries (means are higher) Careers in Chemistry Some Careers That

More information

VCE CHEMISTRY 2008 2011: UNIT 3 SAMPLE COURSE OUTLINE

VCE CHEMISTRY 2008 2011: UNIT 3 SAMPLE COURSE OUTLINE VCE CHEMISTRY 2008 2011: UNIT 3 SAMPLE COURSE OUTLINE This sample course outline represents one possible teaching and learning sequence for Unit 3. 1 2 calculations including amount of solids, liquids

More information

M.Sc. in Nano Technology with specialisation in Nano Biotechnology

M.Sc. in Nano Technology with specialisation in Nano Biotechnology M.Sc. in Nano Technology with specialisation in Nano Biotechnology Nanotechnology is all about designing, fabricating and controlling materials, components and machinery with dimensions on the nanoscale,

More information

NMR Spectroscopy. Introduction

NMR Spectroscopy. Introduction Introduction NMR Spectroscopy Over the past fifty years nuclear magnetic resonance spectroscopy, commonly referred to as nmr, has become the most important technique for determining the structure of organic

More information

CHEMISTRY. Real. Amazing. Program Goals and Learning Outcomes. Preparation for Graduate School. Requirements for the Chemistry Major (71-72 credits)

CHEMISTRY. Real. Amazing. Program Goals and Learning Outcomes. Preparation for Graduate School. Requirements for the Chemistry Major (71-72 credits) CHEMISTRY UW-PARKSIDE 2015-17 CATALOG Greenquist 344 262-595-2326 College: Natural and Health Sciences Degree and Programs Offered: Bachelor of Science Major - Chemistry Minor - Chemistry Certificate -

More information

Nanoscience Course Descriptions

Nanoscience Course Descriptions Nanoscience Course Descriptions NANO*1000 Introduction to Nanoscience This course introduces students to the emerging field of nanoscience. Its representation in popular culture and journalism will be

More information

IR Applied to Isomer Analysis

IR Applied to Isomer Analysis DiscovIR-LC TM Application Note 025 April 2008 Deposition and Detection System IR Applied to Isomer Analysis Infrared spectra provide valuable information about local configurations of atoms in molecules.

More information

1 The water molecule and hydrogen bonds in water

1 The water molecule and hydrogen bonds in water The Physics and Chemistry of Water 1 The water molecule and hydrogen bonds in water Stoichiometric composition H 2 O the average lifetime of a molecule is 1 ms due to proton exchange (catalysed by acids

More information

Chemistry Diagnostic Questions

Chemistry Diagnostic Questions Chemistry Diagnostic Questions Answer these 40 multiple choice questions and then check your answers, located at the end of this document. If you correctly answered less than 25 questions, you need to

More information

I. ACID-BASE NEUTRALIZATION, TITRATION

I. ACID-BASE NEUTRALIZATION, TITRATION LABORATORY 3 I. ACID-BASE NEUTRALIZATION, TITRATION Acid-base neutralization is a process in which acid reacts with base to produce water and salt. The driving force of this reaction is formation of a

More information

DNA NANOWIRES USING NANOPARTICLES ECG653 Project Report submitted by GOPI KRISHNA.ARI,arig@unlv.nevada.edu,Fall-2008

DNA NANOWIRES USING NANOPARTICLES ECG653 Project Report submitted by GOPI KRISHNA.ARI,arig@unlv.nevada.edu,Fall-2008 DNA NANOWIRES USING NANOPARTICLES ECG653 Project Report submitted by GOPI KRISHNA.ARI,arig@unlv.nevada.edu,Fall-2008 INTRODUCTION: Deoxyribonucleic acid (DNA) has been a key building block in nanotechnology

More information

Self Assessment_Ochem I

Self Assessment_Ochem I UTID: 2013 Objective Test Section Identify the choice that best completes the statement or answers the question. There is only one correct answer; please carefully bubble your choice on the scantron sheet.

More information

The Application of Density Functional Theory in Materials Science

The Application of Density Functional Theory in Materials Science The Application of Density Functional Theory in Materials Science Slide 1 Outline Atomistic Modelling Group at MUL Density Functional Theory Numerical Details HPC Cluster at the MU Leoben Applications

More information

Atomic mass is the mass of an atom in atomic mass units (amu)

Atomic mass is the mass of an atom in atomic mass units (amu) Micro World atoms & molecules Laboratory scale measurements Atomic mass is the mass of an atom in atomic mass units (amu) By definition: 1 atom 12 C weighs 12 amu On this scale 1 H = 1.008 amu 16 O = 16.00

More information

Chemical Tests for Alkanes, Alkenes, and Aromatic Compounds

Chemical Tests for Alkanes, Alkenes, and Aromatic Compounds Chemical Tests for Alkanes, Alkenes, and Aromatic Compounds Introduction There are four types of hydrocarbons: alkanes, alkenes, alkynes, and aromatic compounds, each type with different chemical properties.

More information

18 electron rule : How to count electrons

18 electron rule : How to count electrons 18 electron rule : How to count electrons The rule states that thermodynamically stable transition metal organometallic compounds are formed when the sum of the metal d electrons and the electrons conventionally

More information

A metal-free polymeric photocatalyst for hydrogen production from water under visible light

A metal-free polymeric photocatalyst for hydrogen production from water under visible light A metal-free polymeric photocatalyst for hydrogen production from water under visible light Xinchen Wang, Kazuhiko Maeda, Arne Thomas, Kazuhiro Takanabe, Gang Xin, Johan M. Carlsson, Kazunari Domen, Markus

More information

midterm1, 2009 Name: Class: Date:

midterm1, 2009 Name: Class: Date: Class: Date: midterm1, 2009 Record your name on the top of this exam and on the scantron form. Record the test ID letter in the top right box of the scantron form. Record all of your answers on the scantron

More information

Determining the Structure of an Organic Compound

Determining the Structure of an Organic Compound Determining the Structure of an Organic Compound The analysis of the outcome of a reaction requires that we know the full structure of the products as well as the reactants In the 19 th and early 20 th

More information

An alkyne is a hydrocarbon that contain a Carbon carbon triple bond. Acetylene, the simplest alkyne, widely used in industry for the synthesis of

An alkyne is a hydrocarbon that contain a Carbon carbon triple bond. Acetylene, the simplest alkyne, widely used in industry for the synthesis of Alkynes An alkyne is a hydrocarbon that contain a Carbon carbon triple bond. Acetylene, the simplest alkyne, widely used in industry for the synthesis of acetaldehyde, acetic acid, vinyl chloride O O H

More information

Chemia Fizyczna Physical chemistry

Chemia Fizyczna Physical chemistry Załącznik do zarządzenia nr 110 Rektora UMK z dnia 17 lipca 2013 r. Formularz opisu przedmiotu (formularz sylabusa) na studiach wyższych, doktoranckich, podyplomowych i kursach dokształcających A. Ogólny

More information

NMR SPECTROSCOPY. Basic Principles, Concepts, and Applications in Chemistry. Harald Günther University of Siegen, Siegen, Germany.

NMR SPECTROSCOPY. Basic Principles, Concepts, and Applications in Chemistry. Harald Günther University of Siegen, Siegen, Germany. NMR SPECTROSCOPY Basic Principles, Concepts, and Applications in Chemistry Harald Günther University of Siegen, Siegen, Germany Second Edition Translated by Harald Günther JOHN WILEY & SONS Chichester

More information

Advanced Chemistry: Structure and Properties

Advanced Chemistry: Structure and Properties ILLLINOIS MATHEMATICS & SCIENCE ACADEMY Teacher: Dave DeVol Advanced Chemistry: Structure and Properties August 2013 Unit 1: Molecular Structure and Intermolecular Forces Theme: Relate structure and properties

More information

(1) e.g. H hydrogen that has lost 1 electron c. anion - negatively charged atoms that gain electrons 16-2. (1) e.g. HCO 3 bicarbonate anion

(1) e.g. H hydrogen that has lost 1 electron c. anion - negatively charged atoms that gain electrons 16-2. (1) e.g. HCO 3 bicarbonate anion GS106 Chemical Bonds and Chemistry of Water c:wou:gs106:sp2002:chem.wpd I. Introduction A. Hierarchy of chemical substances 1. atoms of elements - smallest particles of matter with unique physical and

More information

Chemical Synthesis. Overview. Chemical Synthesis of Nanocrystals. Self-Assembly of Nanocrystals. Example: Cu 146 Se 73 (PPh 3 ) 30

Chemical Synthesis. Overview. Chemical Synthesis of Nanocrystals. Self-Assembly of Nanocrystals. Example: Cu 146 Se 73 (PPh 3 ) 30 Chemical Synthesis Spontaneous organization of molecules into stable, structurally well-defined aggregates at the nanometer length scale. Overview The 1-100 nm nanoscale length is in between traditional

More information

Molecular Engineering for Solar Energy Conversion and Lighting Materials

Molecular Engineering for Solar Energy Conversion and Lighting Materials 193 Figure 5.1 Schematic representation of photochemical water splitting (artificial photosynthesis). Five fundamental components are needed: (1) an antenna for light harvesting, (2) a charge-separation

More information

Range of Competencies

Range of Competencies CHEMISTRY Content Domain Range of Competencies l. Nature of Science 0001 0003 18% ll. Matter and Atomic Structure 0004 0006 18% lll. Energy and Chemical Bonding 0007 0010 23% lv. Chemical Reactions 0011

More information

STATE UNIVERSITY OF NEW YORK COLLEGE OF TECHNOLOGY CANTON, NEW YORK COURSE OUTLINE CHEM 150 - COLLEGE CHEMISTRY I

STATE UNIVERSITY OF NEW YORK COLLEGE OF TECHNOLOGY CANTON, NEW YORK COURSE OUTLINE CHEM 150 - COLLEGE CHEMISTRY I STATE UNIVERSITY OF NEW YORK COLLEGE OF TECHNOLOGY CANTON, NEW YORK COURSE OUTLINE CHEM 150 - COLLEGE CHEMISTRY I PREPARED BY: NICOLE HELDT SCHOOL OF SCIENCE, HEALTH, AND PROFESSIONAL STUDIES SCIENCE DEPARTMENT

More information

A. Definition of biology - Biology is the study of life.

A. Definition of biology - Biology is the study of life. Introduction to Biology and Chemistry Outline I. Introduction to biology A. Definition of biology - Biology is the study of life. B. Characteristics of Life 1. Form and size are characteristic. e.g. A

More information

Q.1 Draw out some suitable structures which fit the molecular formula C 6 H 6

Q.1 Draw out some suitable structures which fit the molecular formula C 6 H 6 Aromatic compounds GE 1 BENZENE Structure Primary analysis revealed benzene had an... empirical formula of and a molecular formula of 6 6 Q.1 Draw out some suitable structures which fit the molecular formula

More information

İZMİR INSTITUTE OF TECHNOLOGY GRADUATE SCHOOL OF ENGINEERING AND SCIENCES DEPARTMENT OF CHEMISTRY CURRICULUM OF THE GRADUATE PROGRAMS

İZMİR INSTITUTE OF TECHNOLOGY GRADUATE SCHOOL OF ENGINEERING AND SCIENCES DEPARTMENT OF CHEMISTRY CURRICULUM OF THE GRADUATE PROGRAMS İZMİR INSTITUTE OF TECHNOLOGY GRADUATE SCHOOL OF ENGINEERING AND SCIENCES DEPARTMENT OF CHEMISTRY CURRICULUM OF THE GRADUATE PROGRAMS M.S. in CHEMISTRY Core Courses CHEM 500 M. S. Thesis (0 1)NC CHEM 501

More information

Chapter 1: Moles and equations. Learning outcomes. you should be able to:

Chapter 1: Moles and equations. Learning outcomes. you should be able to: Chapter 1: Moles and equations 1 Learning outcomes you should be able to: define and use the terms: relative atomic mass, isotopic mass and formula mass based on the 12 C scale perform calculations, including

More information

Biological Sciences INDIVIDUAL PROGRAM INFORMATION 2015 2016. 866.Macomb1 (866.622.6621) www.macomb.edu

Biological Sciences INDIVIDUAL PROGRAM INFORMATION 2015 2016. 866.Macomb1 (866.622.6621) www.macomb.edu Biological Sciences INDIVIDUAL PROGRAM INFORMATION 2015 2016 866.Macomb1 (866.622.6621) www.macomb.edu Biological Sciences CREDENTIAL TITLE PROGRAM OPTIONS CREDIT HOURS REQUIRED Associate of Science Biological

More information

Identification of Unknown Organic Compounds

Identification of Unknown Organic Compounds Identification of Unknown Organic Compounds Introduction The identification and characterization of the structures of unknown substances are an important part of organic chemistry. Although it is often

More information

NMR and IR spectra & vibrational analysis

NMR and IR spectra & vibrational analysis Lab 5: NMR and IR spectra & vibrational analysis A brief theoretical background 1 Some of the available chemical quantum methods for calculating NMR chemical shifts are based on the Hartree-Fock self-consistent

More information

Chapter 10 Introduction to Organic Chemistry: Alkanes. Organic Chemistry. 10.1 Organic Compounds. Organic vs. Inorganic.

Chapter 10 Introduction to Organic Chemistry: Alkanes. Organic Chemistry. 10.1 Organic Compounds. Organic vs. Inorganic. Chapter 10 Introduction to Organic Chemistry: Alkanes 10.1 Organic Compounds Organic Chemistry An organic compound is a compound made from carbon atoms. has one or more C atoms. has many H atoms. may also

More information

Biological Membranes. Impermeable lipid bilayer membrane. Protein Channels and Pores

Biological Membranes. Impermeable lipid bilayer membrane. Protein Channels and Pores Biological Membranes Impermeable lipid bilayer membrane Protein Channels and Pores 1 Biological Membranes Are Barriers for Ions and Large Polar Molecules The Cell. A Molecular Approach. G.M. Cooper, R.E.

More information

Chemistry. The student will be able to identify and apply basic safety procedures and identify basic equipment.

Chemistry. The student will be able to identify and apply basic safety procedures and identify basic equipment. Chemistry UNIT I: Introduction to Chemistry The student will be able to describe what chemistry is and its scope. a. Define chemistry. b. Explain that chemistry overlaps many other areas of science. The

More information

Curriculum Vitae. Dr. Dilek Işık Taşgın

Curriculum Vitae. Dr. Dilek Işık Taşgın Curriculum Vitae Dr. Dilek Işık Taşgın Phone: +90-(312)-233 1405 E-mail: ditasgin@cankaya.edu.tr EDUCATION 2006-2013 Hacettepe University, Ankara, Turkey Ph.D. in organic chemistry Dissertation: Michael

More information

TiO 2. : A New Kind of Water Treatment. Registered charity number 207890

TiO 2. : A New Kind of Water Treatment.  Registered charity number 207890 TiO 2 : A New Kind of Water Treatment www.rsc.org/learn-chemistry Registered charity number 207890 3: A new kind of water treatment What is solar disinfection with titanium dioxide and how does it work?

More information

Molecular descriptors and chemometrics: a powerful combined tool for pharmaceutical, toxicological and environmental problems.

Molecular descriptors and chemometrics: a powerful combined tool for pharmaceutical, toxicological and environmental problems. Molecular descriptors and chemometrics: a powerful combined tool for pharmaceutical, toxicological and environmental problems. Roberto Todeschini Milano Chemometrics and QSAR Research Group - Dept. of

More information

Organic Spectroscopy

Organic Spectroscopy 1 Organic Spectroscopy Second Year, Michaelmas term, 8 lectures: Dr TDW Claridge & Prof BG Davis Lectures 1 4 highlight the importance of spectroscopic methods in the structural elucidation of organic

More information

Chapter 1 The Atomic Nature of Matter

Chapter 1 The Atomic Nature of Matter Chapter 1 The Atomic Nature of Matter 6. Substances that cannot be decomposed into two or more simpler substances by chemical means are called a. pure substances. b. compounds. c. molecules. d. elements.

More information

Overview of PEM fuel cell processes

Overview of PEM fuel cell processes Overview of PEM fuel cell processes Bent Sørensen Roskilde University Institute of Mathematics & Physics, Energy & Environment group Universitetsvej 1, Bld. 27.2, DK-4000 Roskilde Denmark boson@ruc.dk

More information

RANKING OF TURKISH UNIVERSITIES BY ACADEMIC PERFORMANCE (JANUARY 2010)

RANKING OF TURKISH UNIVERSITIES BY ACADEMIC PERFORMANCE (JANUARY 2010) RANKING OF TURKISH UNIVERSITIES BY ACADEMIC PERFORMANCE (JANUARY 2010) Turkish Universities (114 of them) are ranked according to their academic performances based on national and international sources.

More information

WEEKLY COURSE SCHEDULE : PRIMARY EDUCATION

WEEKLY COURSE SCHEDULE : PRIMARY EDUCATION WEEKLY COURSE SCHEDULE : PRIMARY EDUCATION Semester 1 Week 1 ( 19.09.2011-23.09.2011 ) Introduction to sol-gel processes Properties of X-Rays General Explanations on Process Planning Introduction Semester

More information

Forensic Science Standards and Benchmarks

Forensic Science Standards and Benchmarks Forensic Science Standards and Standard 1: Understands and applies principles of scientific inquiry Power : Identifies questions and concepts that guide science investigations Uses technology and mathematics

More information

Acids and Bases: A Brief Review

Acids and Bases: A Brief Review Acids and : A Brief Review Acids: taste sour and cause dyes to change color. : taste bitter and feel soapy. Arrhenius: acids increase [H ] bases increase [OH ] in solution. Arrhenius: acid base salt water.

More information

Organic Spectroscopy. UV - Ultraviolet-Visible Spectroscopy. !! 200-800 nm. Methods for structure determination of organic compounds:

Organic Spectroscopy. UV - Ultraviolet-Visible Spectroscopy. !! 200-800 nm. Methods for structure determination of organic compounds: Organic Spectroscopy Methods for structure determination of organic compounds: X-ray rystallography rystall structures Mass spectroscopy Molecular formula -----------------------------------------------------------------------------

More information

Synthesis, characterization and application of a novel mercapto- and new kind of

Synthesis, characterization and application of a novel mercapto- and new kind of SUPPLEMENTARY MATERIAL Synthesis, characterization and application of a novel mercapto- and new kind of polyaminophenol-bifunctionalized MCM-41 for dispersive micro solid phase extraction of Ni(II) prior

More information

It does not react N.R.

It does not react N.R. Benzene versus yclohexene versus yclohexadiene 1 l l cyclohexene l l cyclohexadiene l Expect this to react similarly "cyclohexatriene" It does not react l N.R. benzene Benzene is resonance stabilized,

More information

CHEMICAL SENSORS 1. DEFINITION

CHEMICAL SENSORS 1. DEFINITION CHEMICAL SENSORS 1. DEFINITION A chemical sensor is a device that transforms chemical information (composition, presence of a particular element or ion, concentration, chemical activity, partial pressure

More information

IB Chemistry. DP Chemistry Review

IB Chemistry. DP Chemistry Review DP Chemistry Review Topic 1: Quantitative chemistry 1.1 The mole concept and Avogadro s constant Assessment statement Apply the mole concept to substances. Determine the number of particles and the amount

More information

Infrared Spectroscopy 紅 外 線 光 譜 儀

Infrared Spectroscopy 紅 外 線 光 譜 儀 Infrared Spectroscopy 紅 外 線 光 譜 儀 Introduction Spectroscopy is an analytical technique which helps determine structure. It destroys little or no sample (nondestructive method). The amount of light absorbed

More information

Lecture 15 - application of solid state materials solar cells and photovoltaics. Copying Nature... Anoxygenic photosynthesis in purple bacteria

Lecture 15 - application of solid state materials solar cells and photovoltaics. Copying Nature... Anoxygenic photosynthesis in purple bacteria Lecture 15 - application of solid state materials solar cells and photovoltaics. Copying Nature... Anoxygenic photosynthesis in purple bacteria Simple example, but still complicated... Photosynthesis is

More information

Chapter 6 An Overview of Organic Reactions

Chapter 6 An Overview of Organic Reactions John E. McMurry www.cengage.com/chemistry/mcmurry Chapter 6 An Overview of Organic Reactions Why this chapter? To understand organic and/or biochemistry, it is necessary to know: -What occurs -Why and

More information

Chapter 13 Spectroscopy NMR, IR, MS, UV-Vis

Chapter 13 Spectroscopy NMR, IR, MS, UV-Vis Chapter 13 Spectroscopy NMR, IR, MS, UV-Vis Main points of the chapter 1. Hydrogen Nuclear Magnetic Resonance a. Splitting or coupling (what s next to what) b. Chemical shifts (what type is it) c. Integration

More information

PART I: MULTIPLE CHOICE (30 multiple choice questions. Each multiple choice question is worth 2 points)

PART I: MULTIPLE CHOICE (30 multiple choice questions. Each multiple choice question is worth 2 points) CHEMISTRY 123-07 Midterm #1 Answer key October 14, 2010 Statistics: Average: 74 p (74%); Highest: 97 p (95%); Lowest: 33 p (33%) Number of students performing at or above average: 67 (57%) Number of students

More information

Homework Chapter 21 Carboxylic Acid Derivatives: Nucleophilic Acyl Substitution Reactions mandatory problems are highlighted (up to page 16)

Homework Chapter 21 Carboxylic Acid Derivatives: Nucleophilic Acyl Substitution Reactions mandatory problems are highlighted (up to page 16) Homework Chapter 21 Carboxylic Acid Derivatives: Nucleophilic Acyl Substitution Reactions mandatory problems are highlighted (up to page 16) SHORT ANSWER IUPAC Naming Instructions: Provide proper IUPAC

More information

Chapter 16: Chemistry of Benzene: Electrophilic Aromatic Substitution. Let us look at bromination: δ+ δ Br Br FeBr 3 Br Br FeBr 3

Chapter 16: Chemistry of Benzene: Electrophilic Aromatic Substitution. Let us look at bromination: δ+ δ Br Br FeBr 3 Br Br FeBr 3 Chapter 16: Chemistry of Benzene: lectrophilic Aromatic Substitution lectrophilic positively charged species searching for electron density Aromatic benzene ring with a high electron density Substitution

More information

THE DEVELOPMENT LINES OF PROGEO

THE DEVELOPMENT LINES OF PROGEO THE DEVELOPMENT LINES OF PROGEO ANTONIO LAGANA, University of Perugia ANDREA CAPRICCIOLI, ENEA Frascati PREAMBLE The ICSA (Innovative Computational Science Applications) Association has started several

More information

INTERMOLECULAR FORCES

INTERMOLECULAR FORCES INTERMOLECULAR FORCES Intermolecular forces- forces of attraction and repulsion between molecules that hold molecules, ions, and atoms together. Intramolecular - forces of chemical bonds within a molecule

More information

Chemistry 201. Practical aspects of buffers. NC State University. Lecture 15

Chemistry 201. Practical aspects of buffers. NC State University. Lecture 15 Chemistry 201 Lecture 15 Practical aspects of buffers NC State University The everyday ph scale To review what ph means in practice, we consider the ph of everyday substances that we know from experience.

More information

Chem 1A Exam 2 Review Problems

Chem 1A Exam 2 Review Problems Chem 1A Exam 2 Review Problems 1. At 0.967 atm, the height of mercury in a barometer is 0.735 m. If the mercury were replaced with water, what height of water (in meters) would be supported at this pressure?

More information

Chapter 2 mastery check

Chapter 2 mastery check 1. Each element has its own characteristic atom in which a. the atomic mass is constant. b. the atomic number is constant. c. the mass number is constant. d. two of the above are correct. e. all of the

More information

Code number given on the right hand side of the question paper should be written on the title page of the answerbook by the candidate.

Code number given on the right hand side of the question paper should be written on the title page of the answerbook by the candidate. Series ONS SET-3 Roll No. Candiates must write code on the title page of the answer book Please check that this question paper contains 15 printed pages. Code number given on the right hand side of the

More information

ph: Measurement and Uses

ph: Measurement and Uses ph: Measurement and Uses One of the most important properties of aqueous solutions is the concentration of hydrogen ion. The concentration of H + (or H 3 O + ) affects the solubility of inorganic and organic

More information

Cambridge International Examinations Cambridge International General Certificate of Secondary Education

Cambridge International Examinations Cambridge International General Certificate of Secondary Education Cambridge International Examinations Cambridge International General Certificate of Secondary Education *0123456789* CHEMISTRY 0620/03 Paper 3 Theory (Core) For Examination from 2016 SPECIMEN PAPER 1 hour

More information