LIST OF POSTER PRESENTATION
February 26, 2007 Mon. 14:50-16:30
PS-1
Crystal Structure Analysis of Dicalcium Silicates
Ryoji Sakurada, Abhishek Kumar Singh, Masami Uzawa and Yoshiyuki Kawazoe
Civil Engineering Department, Akita National College of Technology, Japan
PS-2
Possibility of Hydrogen Adsorption on Rhodium Cubical Clusters
Young-Cho Bae, Vijay Kumar, Hiroki Osanai and Yoshiyuki Kawazoe
CODEC, Japan
PS-3
Electron Transport through an Aromatic and Antiaromatic Organic Molecules
Sang Uck Lee, Rodion V. Belosludov, Hiroshi Mizuseki and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-4
Al4Li4 All-Metal Cluster: Does It have an Aromatic Duality?
Sang Uck Lee, Chiranjib Majumder, Rodion V. Belosludov, Hiroshi Mizuseki
and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-5
From Clusters to Assembly of Molybdenum Sulfide Nanotubes
P. Murugan, Vijay Kumar, Yoshiyuki Kawazoe and Norio Ota
Institute for Materials Research, Tohoku University, Japan
PS-6
First-Principles Calculations of the Far-Infrared Absorption Spectrum of 4'-DimethylaminoN -Methyl-4-Stilbazolium Tosylate (DAST)
Shigeki Saito, Talgat M. Inerbaev, Hiroshi Mizuseki, Nobuaki Igarashi, Ryunosuke Note
and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-7
Interstitial Oxygen and Electronic Properties of Bulk Tin-Doped Indium Oxide
T.M. Inerbaev, R. Sahara, H. Mizuseki, Y. Kawazoe and T. Nakamura
Institute for Materials Research, Tohoku University, Japan
PS-8
Transport Properties of Doped Single-Walled Carbon Nanotubes
R.V. Belosludov, S.U. Lee, H. Mizuseki, T. Takenobu, Y. Iwasa and Y. kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-9
Theoretical Investigation of Stable Structures of Ge 6 Clusters with Various Negative Charges
Hideki Kikuchi, Masae Takahashi and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-10
Influence of Boron Concentration on Elastic Properties of R Rh3BX (R = Sc, Y, Ce, La)
Hidenobu Kojima, Ryoji Sahara, Toetsu Shishido, Akiko Nomura, Kunio Kudou,
Shigeru Okada, Vijay Kumar, Kazuo Nakajima and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-11
Theoretical Study on Elastic Properties of Boron-Rich Compounds
Hidenobu Kojima, Ryoji Sahara, Toetsu Shishido, Akiko Nomura, Kunio Kudou,
Shigeru Okada, Vijay Kumar, Kazuo Nakajima and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-12
A First-Principles Study on Electronic and Magnetic Properties in Y 2Fe14B and Y2Co14B
Ryoji Sahara, Hiroshi Mizuseki and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-13
Ab-Initio Study of the Spin-Dependent Transport, Phase Stability and Magnetism in CeMnNi 4
M.S. Bahramy, P. Murugan, G.P. Das and Y. Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-14
Correct Interpretation of Hund's Rule for Atoms Based on the Virial Theorem
Takayuki Oyamada, Kenta Hongo, Yoshiyuki Kawazoe and Hiroshi Yasuhara
Institute for Materials Research, Tohoku University, Japan
PS-15
Analysis of Chemical Bonding in the Hydrogen Molecule
Kenta Hongo, Yoshiyuki Kawazoe and Hiroshi Yasuhara
Institute for Materials Research, Tohoku University, Japan
PS-16
Tribochemical Reaction of ZnDTP Anti-wear Lubricant Additives by Using Hybrid
Tight-Binding Quantum Chemical Molecular Dynamics Method
Tasuku Onodera, Yusuke Morita, Hideyuki Tsuboi, Michihisa Koyama, Nozomu Hatakeyama,
Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio and Akira Miyamoto
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, Japan
PS-17
Absorption of CO2 by AMP in Gas and Aqueous Phases: Theoretical Investigation
Mohamed Ismael, Tsubasa Iwabuchi, Kana Gentani, Hideyuki Tsuboi, Michihisa Koyama,
Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos Del Carpio,
Shin Shimizu and Akira Miyamoto
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, Japan
PS-18
Effect of Diameter on e-ph Coupling and Conductance of Metallic Carbon Nanotubes
Narjes Gorjizadeh, Amir A. Farajian and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-19
Theoretical Study on Effects of Oxygen Vacancy on Luminescence Properties of
Rare-Earth Phosphors Using Tight-Binding Quantum Chemistry Method
Hiroaki Onuma, Hideyuki Tsuboi, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou,
Hiromitsu Takaba, Momoji Kubo, Del Carpio Calros A. and Akira Miyamoto
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, Japan
PS-20
Theoretical Investigation of Electronic and Electrical Property of Gas Sensor Materials by
Tight-binding Quantum Chemical Molecular Dynamics Method
Zhu Zhigang, Chutia Arunabhiram, Hideyuki Tsuboi, Michihisa Koyama,
Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo,
Carlos A. Del Carpio and Akira Miyamoto
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, Japan
PS-21
Development of Overpotential Simulator of Fuel Cell based on Three Dimensional
Electrode Model
Tatsuya Hattori, Kota Kasahara, Kenji Sasaki, Huifeng Zhong, Hideyuki Tsuboi,
Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba,
Momoji Kubo, Carlos A. Del Carpio and Akira Miyamoto
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, Japan
PS-22
CO Oxidation Process on Pt-M(111) Alloys (M=Ru, Sn): Theoretical Study
Toshiaki Oka, Hiroshi Mizuseki and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-23
Oscillatory Convection in Czochralski Crystal Growth
Zhong Zeng, Hiroshi Mizuseki and Yoshiyuki Kawazoe
Department of Engineering Mechanics, Chongqing University, Chongqing, China
PS-24
Effect of Metal Element on Transport Properties through Porphyrin: Theoretical Approach
Hiroshi Mizuseki, Rodion V. Belosludov, Amir A. Farajian and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-25
Interconnection of Carbon Nanotubes Using Peptide Linkages: New Types of Molecular Diodes
Mohammad Khazaei, Fabio Pichierri and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-26
Theoretical Study on the Mechanism of Dimerizations of Phosphaallenes
Daisuke Hirose, Masae Takahashi, Yoshiyuki Kawazoe and Shigekazu Ito
Institute for Materials Research, Tohoku University, Japan
PS-27
Large Scale Computer Simulation Environment on Distributed Supercomputers
Connected via Nanotechnology Research Network with ITBL System
Yoshiyuki Kawazoe, Marcel Sluiter, Kyoko Ichinoseki, Ryoko Hayashi, Yasushi Inoguchi,
Hitoshi Adachi, Hiroshi Yamaguchi and Chinatsu Kitagawa
Institute for Materials Research, Tohoku University, Japan
PS-28
Non-uniform Spin Accumulation in Zero-dimensional Magnetic Nanostructures
M. Ichimura, H. Imamura, S. Takahashi and S. Maekawa
Institute for Materials Research, Tohoku University, Japan
PS-29
Magic Numbers and Incipience of Bulk Features in Na, Cu, and Ag Clusters
Masahiro Itoh, Vijay Kumar, Kenta Hongo, Tamio Ikeshoji and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, Japan
PS-30
Fabrication of Harmonic Functional Photo-Energy Conversion Materials with
Alternative Nano-Layered Structures
Sou Ryuzaki, Akira Hida and Jun Onoe
Department of Nuclear Engineering (COE-INES), Tokyo Institute of Technology, Japan
PS-31
Pressure-Induced Isostructural Phase Transition of Metal-Doped Silicon Clathrates
Toshiaki Iitaka
Computational Astrophysics Laboratory, RIKEN, Japan
PS-32
First Principles Study of Superconductivity
John S. Tse
Department of Physics and Engineering Physics, University of Saskatchewan Saskatoon,
Saskatchewan, Canada