1

Independent and Interdependent Atomistic Structural Features of Pd Clusters Supported on the MgO(001) Surface


The Journal of Physical Chemistry B, 102 (1998) 795-803.


Ryo Yamauchi, Momoji Kubo, Akira Miyamoto, Rajappan Vetrivel,

and Ewa Broclawik

 

2

Theoretical Calculation of Hydrogen Molecule in Silicon


The Journal of Chemical Physics, 108 (1998) 3222-3225.


Kazutaka G. Nakamura, Kunie Ishioka, Masahiro Kitajima, Akira Endou,

Momoji Kubo, and Akira Miyamoto

 

3

Permeation Dynamics of Small Molecules through Silica Membranes: Molecular Dynamics Study


AIChE Journal, 44 (1998) 1335-1343.


Hiromitsu Takaba, Koichi Mizukami, Momoji Kubo, Adil Fahmi,

and Akira Miyamoto

 

4

Effects of Structural Characteristics of Zeolites on the Properties of Their Bridging and Terminal Hydroxyl Groups


Applied Surface Science, 130-132 (1998) 555-560.


Abhijit Chatterjee, Takashi Iwasaki, Takeo Ebina, Hirotaka Tsuruya,

Tomonori Kanougi, Yasunori Oumi, Momoji Kubo, and Akira Miyamoto

 

5

Periodic Density Functional Study on V2O5 Bulk and (001) Surface


Applied Surface Science, 130-132 (1998) 539-544.


Xilin Yin, Adil Fahmi, Akira Endou, Ryuji Miura, Isao Gunji, Ryo Yamauchi, Momoji Kubo, Abhijit Chatterjee, and Akira Miyamoto

 

6

Density Functional Calculation on the Adsorption of Nitrogen Oxides and Water on Ion Exchanged ZSM-5


Applied Surface Science, 130-132 (1998) 561-565.


Tomonori Kanougi, Hirotaka Tsuruya, Yasunori Oumi, Abhijit Chatterjee,

Adil Fahmi, Momoji Kubo, and Akira Miyamoto

 

7

Electronic and Structural Features of Pd3 Cluster on MgO(100) Surface Cluster


Applied Surface Science, 130-132 (1998) 572-575.


Ryo Yamauchi, Isao Gunji, Akira Endou, Xilin Yin, Momoji Kubo,

Abihijit Chatterjee, and Akira Miyamoto

 

8

Molecular Dynamics Simulations on Oxygen Ion Diffusion in Strained YSZ/CeO2 Superlattice


Applied Surface Science, 130-132 (1998) 545-548.


Ken Suzuki, Akira Endou, Ryuji Miura, Yasunori Oumi, Hiromitsu Takaba, Momoji Kubo, Abhijit Chatterjee, Adil Fahmi, and Akira Miyamoto

 

9

Molecular Dynamics Study on the Stability of γ-Al2O3 Surfaces


Applied Surface Science, 130-132 (1998) 549-554.


Isao Gunji, Kazuo Teraishi, Akira Endou, Ryuji Miura, Xilin Yin, Ryo Yamauchi, Momoji Kubo, Abhijit Chatterjee, and Akira Miyamoto

 

10

The Dynamics Study of Metallocene Catalyst Using Molecular Dynamics


Applied Surface Science, 130-132 (1998) 501-505.


Takeshi Sato, Yasunori Oumi, Hiromitsu Takaba, Momoji Kubo, Abhijit Chatterjee, Kazuo Teraishi, and Akira Miyamoto

 

11

Integrated Computational Chemistry Study for Zeolite Microporous Materials


Research on Chemical Intermediates, 24 (1998) 169-181.


Akira Miyamoto, Abhijit Chatterjee, Momoji Kubo, Hiromitsu Takaba, and Yasunori Oumi

 

12

Quantum Chemical Study on the Oxidation Process of a Hydrogen Terminated Si Surface


The Journal of Chemical Physics, 109 (1998) 1495-1504.


Kazuo Teraishi, Hiromitsu Takaba, Aruba Yamada, Akira Endou, Isao Gunji, Abhijit Chatterjee, Momoji Kubo, Akira Miyamoto, Kazutaka Nakamura, and Masahiro Kitajima

 

13

Selective Oxidation of Propylene over Gold Deposited on Titanium-Based Oxides


Research on Chemical Intermediates, 24 (1998) 329-336.


M. Haruta, B. S. Uphade, S. Tsubota, and A. Miyamoto

 

14

Molecular Dynamics Simulation of Enhanced Oxygen Ion Diffusion in Strained Yttria-Stabilized Zirconia


Applied Physics Letters, 73 (1998) 1502-1504.


Ken Suzuki, Momoji Kubo, Yasunori Oumi, Ryuji Miura, Hiromitsu Takaba, Adil Fahmi, Abhijit Chatterjee, Kazuo Teraishi, and Akira Miyamoto

 

15

Molecular Dynamics Simulation on a Layer-by-Layer Homoepitaxial Growth Process of SrTiO3(001)


The Journal of Chemical Physics, 109 (1998) 8601-8606.


Momoji Kubo, Yasunori Oumi, Ryuji Miura, Andras Stirling, Akira Miyamoto, Masashi Kawasaki, Mamoru Yoshimoto, and Hideomi Koinuma

 

16

Layer-by-Layer Heteroepitaxial Growth Process of a BaO Layer on SrTiO3(001) as Investigated by Molecular Dynamics


The Journal of Chemical Physics, 109 (1998) 9148-9154.


Momoji Kubo, Yasunori Oumi, Ryuji Miura, Andras Stirling, Akira Miyamoto, Masashi Kawasaki, Mamoru Yoshimoto, and Hideomi Koinuma

 

17

Oxidation and Stabilization of Unreconstructed Hydrogen- and Fluorine-Terminated Si(100) Surface: A Periodic Density Functional Study


The Journal of Physical Chemistry B, 102 (1998) 9215-9223.


Abhijit Chatterjee, Takashi Iwasaki, Takeo Ebina, Momoji Kubo, and

Akira Miyamoto

 

18

Application of Integrated Computer Simulation Approach to Solid Surfaces and Interfaces


Catalysis Surveys from Japan, 2 (1998) 133-154.


Abhijit Chatterjee, Momoji Kubo, Kazuo Teraishi, Hiromitsu Takaba,

Yasunori Oumi, and Akira Miyamoto

 

19

Density Functional Study for Estimating Bronsted Acid Site Strength in Isomorphously Substituted ZSM-5


Microporous and Mesoporous Materials, 21 (1998) 421-428.


Abhijit Chatterjee, Takeshi Iwasaki, Takeo Ebina, and Akira Miyamoto

 

20

Hydrogen Molecule Trapped in Silicon Crystal


Applied Surface Science, 130-132 (1998) 243-247.


K. G. Nakamura, K. Ishioka, M. Kitajima, N. Fukata, K. Murakami, A. Endou,

M. Kubo, and A. Miyamoto