1	Electronic Structures and Spectroscopic Properties of Dimers Cu2, Ag2, and Au2 Calculated by Density Functional Theory Journal of Molecular Structure (Theochem), 579 (2002) 221-227 Xiaojing Wang, Xiaohong Wan, Hui Zhou, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
2	Molecular Simulation on the Thermal Destruction Process of Zeolites Materiaru Raifu Gakkaishi, 14 (2002) 47-53 Yasunori Oumi, Akira Miyamoto, and Tsuneji Sano
3	Non-equilibrium Molecular Simulation Studies on Gas Separation by Microporous Membranes Using Dual Ensemble Molecular Simulation Techniques Fluid Phase Equilibria, 194-197 (2002) 319-326 Yasunori Kobayashi, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
4	Development of New Tight-Binding Molecular Dynamics Program to Simulate Chemical-Mechanical Polishing Processes Japanese Journal of Applied Physics, 41 (2002) 2410-2413 Toshiyuki Yokosuka, Hitoshi Kurokawa, Seiichi Takami, Momoji Kubo, Akira Miyamoto, and Akira Imamura
5	Molecular Dynamics Study of Propylene Polymerization on Ziegler-Natta Catalyst Japanese Journal of Polymer Science and Technology, 59 (2002) 224-229 Masaki Fushimi, Minako Ando, Hitoshi Kurokawa, Hui Zhou, Seiichi Takami, Momoji Kubo, Akira Imamura, and Akira Miyamoto
6	Combinatorial Computational Chemistry Approach as a Promising Method for Design of Fischer-Tropsch Catalysts based on Fe and Co Applied Surface Science, 189 (2002) 245-252 Rodion V. Belosludov, Satoshi Sakahara, Kenji Yajima, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
7	Combinatorial Computational Chemistry Approach to the Design of Methanol Synthesis Catalyst Applied Surface Science, 189 (2002) 253-259 Satoshi Sakahara, Kenji Yajima, Rodion Belosludov, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
8	Combinatorial Computational Chemistry Approach to the Design of Cathode Materials for a Lithium Secondary Battery Applied Surface Science, 189 (2002) 313-318. Ken Suzuki, Yoshinori Kuroiwa, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
9	Computational Methods for the Design of Zeolitic Materials Studies in Surface Science and Catalysis, 142 (2002) 1867-1876 Mohamed Elanany, Katsumi Sasata, Toshiyuki Yokosuka, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
10	Computational Chemical Study on Separation of Benzene and Cyclohexane by NaY Zeolite Membrane Desalination, 147 (2002) 339-344 Yasunori Kobayashi, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
11	Theoretical Investigation on Functionalization of Alkanes by Rhodium Complex Catalyst Organometallics, 21 (2002) 3703-3708 Xiaohong Wan, Xiaojing Wang, Yi Luo, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
12	Monte Carlo Simulation of Pyridine Base Adsorption on Heulandite(010) Applied Surface Science, 188 (2002) 377-380 Yasuto Yokoi, Gulihal Yelken, Yasunori Oumi, Yasunori Kobayashi, Momoji Kubo, Akira Miyamoto, and Masaharu Komiyama
13	A Density Functional Theory Calculation on Lanthanide Monosulfides Chemical Physics, 282 (2002) 197-206 Yi Luo, Xiaohong Wan, Yuki Ito, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
14	A Theoretical Study on Electronic Structures and Spectroscopic Properties of Cyclopropane in Ground and Excited States Chemical Physics, 279 (2002) 7-14 Xiaojing Wang, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
15	The Adsorption of Nitrogen Oxides and Water on Rare Earth Ion-Exchanged ZSM-5: A Density Functional Study Applied Surface Science, 202 (2002) 283-288 Yi Luo, Xiaohong Wan, Yuki Ito, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
16	Tight-binding Quantum Chemical Molecular Dynamics Study of a Cathode Materials for Lithium Secondary Battery Solid State Ionics, 152-153 (2002) 273-277 Ken Suzuki, Yoshinori Kuroiwa, Seiichi Takami, Momoji Kubo, Akira Miyamoto, and Akira Imamura
17	Development and Application of Non-Equilibrium Simulation Program for Ion Diffusion in Battery Solid State Ionics, 152-153 (2002) 279-284 Changho Jung, Hideaki Morito, Yasunori Kobayashi, Ken Suzuki, Seiichi Takami, Momoji Kubo, and Akira Miyamoto
18	Theoretical Design of MgO Protective Layer for Plasma Display by Accelerated Quantum Chemical Molecular Dynamics Approach Proceedings of the 9th International Display Workshops, (2002) 753-756 Momoji Kubo, Katsumi Sasata, Toshiyuki Yokosuka, Tomonori Kusagaya, Seiichi Takami, Hiroshi Kajiyama, Akira Kato, Akira Imamura, and Akira Miyamoto
19	Molecular Dynamics Study on Propylene Polymerization over Ziegler-Natta Catalysts Future Technology for Polyolefin and Olefin Polymerization Catalysis, Technology and Education Publishers, Tokyo, (2002) 384-389 Masashi Fushimi, Minako Ando, Hitoshi Kurokawa, Hui Zhou, Seiichi Takami, Momoji Kubo, Akira Miyamoto, and Akira Imamura