1	Ambient Atomic Force Microscopy Images of Stilbite and their Interpretation by Molecular Simulations Applied Surface Science, 121/122 (1997) 543-547. Masaharu Komiyama, Kazuya Tsujimichi, Yasunori Oumi, Momoji Kubo, and Akira Miyamoto
2	The Role of the Multi-body Interaction in the de-NOx Process on Solid Catalysts Investigated by Density Functional Method Catalysis Today, 35 (1997) 189-196. Michiyuki Yamadaya, Andras Stirling, Hiroaki Himei, Momoji Kubo, Rajappan Vetrivel, Ewa Broclawik, and Akira Miyamoto
3	Molecular Dynamics Simulation for Ultrafine Gold Particles Deposited on Metal Oxides Catalysis Today, 36 (1997) 143-151. Momoji Kubo, Andras Stirling, Ryuji Miura, Ryo Yamauchi, and Akira Miyamoto
4	Quantum Chemical Investigation of Reactants in Selective Reduction of NOx on Ion Exchanged ZSM-5 Studies in Surface Science and Catalysis, 105 (1997) 1485-1492. Michiyuki Yamadaya, Hiroaki Himei, Tomonori Kanougi, Yasunori Oumi, Momoji Kubo, Andras Stirling, Rajappan Vetrivel, Ewa Broclawik, and Akira Miyamoto
5	Atomistic Mechanism of the Adsorption of CFCs in Zeolites as Investigated by Monte Carlo Simulation Studies in Surface Science and Catalysis, 105 (1997) 1811-1817. Koichi Mizukami, Hiromitsu Takaba, Yasunori Oumi, Masahiko Katagiri, Momoji Kubo, Andras Stirling, and Akira Miyamoto
6	Layer-by-layer Homoepitaxial Growth Process of MgO(001) as Investigated by Molecular Dynamics, Density Functional Theory, and Computer Graphics The Journal of Chemical Physics, 107 (1997) 4416-4422. Momoji Kubo, Yasunori Oumi, Ryuji Miura, Andras Stirling, Akira Miyamoto, Masashi Kawasaki, Mamoru Yoshimoto, and Hideomi Koinuma
7	Density Functional Study on the Activation of Methane over Pd2, PdO, and Pd2O Clusters International Journal of Quantum Chemistry, 61 (1997) 673-682. Ewa Broclawik, Ryo Yamauchi, Akira Endou, Momoji Kubo, and Akira Miyamoto
8	Simulation of Atomic Force Microscopy Images of Cleaved Mica Surfaces The Journal of Physical Chemistry B, 101 (1997) 4260-4264. Kazuya Tsujimichi, Hiroyuki Tamura, Akiyasu Hirotani, Momoji Kubo, Masaharu Komiyama, and Akira Miyamoto
9	The Structure and Electronic Characteristics of Metallosilicates with ZSM-5 Structure Catalysis Letters, 45 (1997) 21-26. Yasunori Oumi, Michiyuki Yamadaya, Tomonori Kanougi, Momoji Kubo, Andras Stirling, Rajappan Vetrivel, Ewa Broclawik, and Akira Miyamoto
10	Gamma-point Density Functional Calculations on the Adsorption of Rhodium and Palladium Particles on MgO(001) Surface and Their Activity The Journal of the Chemical Society, Faraday Transactions, 93 (1997) 1175-1178. Andras Stirling, Isao Gunji, Akira Endou, Yasunori Oumi, Momoji Kubo, and Akira Miyamoto
11	Molecular Dynamics Study of Epitaxial Growth and Cluster Formation on MgO(001) AIChE Journal, 43 (1997) 2765-2772. Momoji Kubo, Yasunori Oumi, Ryuji Miura, Andras Stirling, and Akira Miyamoto
12	Electronic Structure and Adsorption Properties of Precious Metals and Their Oxides: Density Functional Calculations Journal of Molecular Catalysis A, 119 (1997) 35-44. E. Broclawik, J. Haber, A. Endou, A. Stirling, R. Yamauchi, M. Kubo, and A. Miyamoto
13	Quantum Chemical Study on SiO Desorption from Si(111) Surface Surface Science, 387 (1997) 59-68. Akira Endou, Andras Stirling, Ryo Yamauchi, Ewa Broclawik, Momoji Kubo, Akira Miyamoto, Kazutaka G. Nakamura, and Masahiro Kitajima
14	Atomic Control of Layer-by-Layer Epitaxial Growth on SrTiO3(001) : Molecular Dynamics Simulations Physical Review B, 56 (1997) 13535-13542. Momoji Kubo, Yasunori Oumi, Ryuji Miura, Andras Stirling, Akira Miyamoto, Masashi Kawasaki, Mamoru Yoshimoto, and Hideomi Koinuma
15	Molecular Dynamics Simulation of Metal Porphyrin Complex Encapsulated in Zeolite Applied Surface Science,119 (1997) 346-350. Takeshi Sato, Keiji Sugao, Yasunori Oumi, Rajappan Vetrivel, Maya Chatterjee, Abhijit Chatterjee, Momoji Kubo, Andras Stirling, Adil Fahmi, and Akira Miyamoto
16	Adsorption of NO on Rhodium and Palladium Clusters: A Density Functional Study Applied Surface Science, 119 (1997) 318-320. Akira Endou, Ryo Yamauchi, Momoji Kubo, Andras Stirling, and Akira Miyamoto
17	Periodic Density Functional Studies on Mg(H)x-doped GaN Semiconductor Applied Surface Science, 119 (1997) 107-110. Andras Stirling, Kazuya Tsujimichi, Tomonori Kanougi, Akira Endou, Ryuji Miura, Momoji Kubo, Akira Miyamoto, Yasushi Iyechika, and Takayoshi Maeda
18	NO2 Adsorption on Ion Exchanged ZSM-5: A Density Functional Study Applied Surface Science, 119 (1997) 103-106. Tomonori Kanougi, Kenichi Furukawa, Michiyuki Yamadaya, Yasunori Oumi, Momoji Kubo, Andras Stirling, Adil Fahmi, and Miyamoto Akira
19	Permeability of Ar and He Through an Inorganic Membrane: A Molecular Dynamics Study Applied Surface Science, 119 (1997) 330-334. Koichi Mizukami, Hiromitsu Takaba, Nobuyasu Ito, Momoji Kubo, Adil Fahmi, and Akira Miyamoto
20	Structure of TiO2 Surfaces: A Molecular Dynamics Study Applied Surface Science, 119 (1997) 199-202. Xilin Yin, Ryuji Miura, Akira Endou, Isao Gunji, Ryo Yamauchi, Momoji Kubo, Andras Stirling, Adil Fahmi, and Akira Miyamoto
21	Grand Canonical Monte Carlo Simulation of the Adsorption of CO2 on Silicalite and NaZSM-5 Applied Surface Science, 120 (1997) 81-84. Akiyasu Hirotani, Koichi Mizukami, Ryuji Miura, Hiromitsu Takaba, Takeshi Miya, Adil Fahmi, Andras Stirling, Momoji Kubo, and Akira Miyamoto
22	Molecular-Dynamics Simulation of the Friction between Talc(001) Surfaces Applied Surface Science, 119 (1997) 335-340. Hiroyuki Tamura, Kazuya Tsujimichi, Hideo Yamano, Kazuomi Shiota, Momoji Kubo, Adil Fahmi, and Akira Miyamoto
23	Location and Orientation of Pyrrole and Acetaldehyde Molecules inside Siliceous Faujasite as Predicted by Electronic Structure Calculations Studies in Surface Science and Catalysis, 105 (1997) 2339-2346. Abhijit Chatterjee, Rajappan Vetrivel, Momoji Kubo, and Akira Miyamoto
24	Molecular Dymamics Simulation of iso- and n-butane Permeations through a ZSM-5 Type Silicalite Membrane Journal of Membrane Science, 134 (1997) 127-139. Hiromitsu Takaba, Ryo Koshita, Koichi Mizukami, Yasunori Oumi, Nobuyasu Ito, Momoji Kubo, Adil Fahmi, and Akira Miyamoto
25	Integrated Computational Chemistry System for the Design of Heterogeneous Catalysts and Nanostructured Materials Bulletin of Materials Science, 20 (1997) 879-883. Akira Miyamoto
26	Active Site Structure of Cu/ZSM-5: Computational Study The Journal of Physical Chemistry B, 101 (1997) 8079-8085. Kazuo Teraishi, Masaya Ishida, Jun Irisawa, Masayoshi Kume, Yoshiyuki Takahashi, Takashi Nakano, Hiroyuki Nakamura, and Akira Miyamoto