Papers - TAKAMI Seiichi
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Materials design of perovskite-based oxygen ion conductor by molecular dynamics method Reviewed
Yoshihiko Yamamura, Chikashi Ihara, Shinji Kawasaki, Hiroaki Sakai, Ken Suzuki, Seiichi Takami, Momoji Kubo, Akira Miyamoto
Solid State Ionics Vol. 160 ( 1-2 ) page： 93-101 2003.5
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Quantum Chemical Molecular Dynamics Simulation of the Plasma Etching Processes Reviewed
Katsumi Sasata, Toshiyuki Yokosuka, Hitoshi Kurokawa, Seiichi Takami, Momoji Kubo, Akira Imamura, Tadashi Shinmura, Masaaki Kanoh, Parasuraman Selvam, Akira Miyamoto
Japanese Journal of Applied Physics Vol. 42 ( 4B ) page： 1859-1864 2003.4
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Quantum Chemical Molecular Dynamics Studies on the Chemical Mechanical Polishing Process of Cu Surface Reviewed
Toshiyuki Yokosuka, Katsumi Sasata, Hitoshi Kurokawa, Seiichi Takami, Momoji Kubo, Akira Imamura, Akira Miyamoto
Japanese Journal of Applied Physics Vol. 42 ( 4B ) page： 1897-1902 2003.4
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A Theoretical Study on the Realistic Low Concentration Doping in Silicon Semiconductors by Accelerated Quantum Chemical Molecular Dynamics Method Reviewed
Toshiyuki Yokosuka, Katsumi Sasata, Hitoshi Kurokawa, Seiichi Takami, Momoji Kubo, Akira Imamura, Yoshiyuki Kitahara, Masaaki Kanoh, Akira Miyamoto
Japanese Journal of Applied Physics Vol. 42 ( 4B ) page： 1877-1881 2003.4
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Computational chemistry study on the dynamics of lubricant molecules under shear conditions Reviewed
D. Kamei, H. Zhou, K. Suzuki, K. Konno, S. Takami, M. Kubo, A. Miyamoto
Tribology International Vol. 36 ( 4-6 ) page： 297-303 2003.4
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The development of computational chemistry approach to predict the viscosity of lubricants Reviewed
K. Konno, D. Kamei, T. Yokosuka, S. Takami, M. Kubo, A. Miyamoto
Tribology International Vol. 36 ( 4-6 ) page： 455-458 2003.4
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A Quantum Molecular Dynamics Simulation Study of the Initial Hydrolysis Step in Sol-Gel Process Reviewed
Mohamed Elanany, Parasuraman Selvam, Toshiyuki Yokosuka, Seiichi Takami, Momoji Kubo, Akira Imamura, Akira Miyamoto
The Journal of Physical Chemistry B Vol. 107 ( 7 ) page： 1518-1524 2003.2
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計算化学を用いたナノ粒子の挙動解明
高見 誠一, 横須賀 俊之, 久保 百司, 宮本 明
粉砕 Vol. 46 page： 45-50 2003.1
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The adsorption of nitrogen oxides and water on rare-earth ion-exchanged ZSM-5: a density functional study Reviewed
Yi Luo, Xiaohong Wan, Yuki Ito, Seiichi Takami, Momoji Kubo, Akira Miyamoto
Applied Surface Science Vol. 202 ( 3-4 ) page： 283-288 2002.12
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Tight-binding quantum chemical molecular dynamics study of cathode materials for lithium secondary battery Reviewed
Ken Suzuki, Yoshinori Kuroiwa, Seiichi Takami, Momoji Kubo, Akira Miyamoto, Akira Imamura
Solid State Ionics Vol. 152-153 page： 273-277 2002.12
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Development and application of nonequilibrium simulation program for ion diffusion in battery Reviewed
Changho Jung, Hideaki Morito, Yasunori Kobayashi, Ken Suzuki, Seiichi Takami, Momoji Kubo, Akira Miyamoto
Solid State Ionics Vol. 152-153 page： 279-284 2002.12
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Computational chemical study on separation of benzene and cyclohexane by a NaY zeolite membrane Reviewed
Yasunori Kobayashi, Seiichi Takami, Momoji Kubo, Akira Miyamoto
Desalination Vol. 147 ( 1-3 ) page： 339-344 2002.9
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Theoretical Investigation on Functionalization of Alkanes by a Rhodium Complex Catalyst Reviewed
Xiaohong Wan, Xiaojing Wang, Yi Luo, Seiichi Takami, Momoji Kubo, Akira Miyamoto
Organometallics Vol. 21 ( 18 ) page： 3703-3708 2002.9
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A density functional theory calculation on lanthanide monosulfides Reviewed
Yi Luo, Xiaohong Wan, Yuki Ito, Seiichi Takami, Momoji Kubo, Akira Miyamoto
Chemical Physics Vol. 282 ( 2 ) page： 197-206 2002.9
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高速化量子分子動力学法による粒子の生成・成長過程のシミュレーション
高見 誠一, 横須賀 俊之, 草谷 友規, 鈴木 研, 久保 百司, 宮本 明
粉体工学会誌 Vol. 39 ( 6 ) page： 459-463 2002.6
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A theoretical study on electronic structures and spectroscopic properties of cyclopropane in ground and excited states Reviewed
Xiaojing Wang, Seiichi Takami, Momoji Kubo, Akira Miyamoto
Chemical Physics Vol. 279 ( 1 ) page： 7-14 2002.5
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コンビナトリアル計算化学
鈴木 研, 高見 誠一, 久保 百司, 宮本 明
有機合成化学協会誌 Vol. 60 ( 5 ) page： 488-489 2002.5
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Development of New Tight-Binding Molecular Dynamics Program to Simulate Chemical-Mechanical Polishing Processes Reviewed
Toshiyuki Yokosuka, Hitoshi Kurokawa, Seiichi Takami, Momoji Kubo, Akira Miyamoto, Akira Imamura
Japanese Journal of Applied Physics Vol. 41 ( 4B ) page： 2410-2413 2002.4
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Combinatorial computational chemistry approach as a promising method for design of Fischer-Tropsch catalysts based on Fe and Co Reviewed
Rodion V. Belosludov, Satoshi Sakahara, Kenji Yajima, Seiichi Takami, Momoji Kubo, Akira Miyamoto
Applied Surface Science Vol. 189 ( 3-4 ) page： 245-252 2002.4
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Combinatorial computational chemistry approach to the design of cathode materials for a lithium secondary battery Reviewed
Ken Suzuki, Yoshinori Kuroiwa, Seiichi Takami, Momoji Kubo, Akira Miyamoto
Applied Surface Science Vol. 189 ( 3-4 ) page： 313-318 2002.4