Development of a quantum chemical molecular dynamics tribochemical simulator and its application to tribochemical reaction dynamics of lubricant additives
Onodera, T, Miura, R, Suzuki, A, Tsuboi, H, Hatakeyama, N, Endou, A, Takaba, H, Kubo, M, Miyamoto, A
Published in Modelling and simulation in materials science and engineering (01.04.2010)
Published in Modelling and simulation in materials science and engineering (01.04.2010)
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Journal Article
A theoretical study of interaction of oxygen with noble metal clusters
WAN, X, YOSHIZAWA, K, OHASHI, N, ENDOU, A, TAKAMI, S, KUBO, M, MIYAMOTO, A, IMAMURA, A
Published in Scripta materialia (18.05.2001)
Published in Scripta materialia (18.05.2001)
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Conference Proceeding
Journal Article
Density functional theory calculations of molecular nitrogen on a ruthenium cluster
Shrivastava, Keshav N, Ammal, S.S.C, Tsuruya, H, Takami, S, Endou, A, Kubo, M, Teraishi, K, Miyamoto, Akira, Ozaki, Atsumu
Published in Chemical physics letters (05.11.1999)
Published in Chemical physics letters (05.11.1999)
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Journal Article
Chemical interaction of NF3 with Si (Part II): Density functional calculation studies
Endou, A., Little, T.W., Yamada, A., Teraishi, K., Kubo, M., Ammal, S.S.C., Miyamoto, A., Kitajima, M., Ohuchi, F.S.
Published in Surface science (20.01.2000)
Published in Surface science (20.01.2000)
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Journal Article
Hydrogen molecule trapped in silicon crystal
Nakamura, K.G, Ishioka, K, Kitajima, M, Fukata, N, Murakami, K, Endou, A, Kubo, M, Miyamoto, A
Published in Applied surface science (01.06.1998)
Published in Applied surface science (01.06.1998)
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Journal Article
Retrieving Issue of Identifying Semantic Relation between Atomic Medical Terms in Noun-noun Compounds in Reports of Computerized Tomography
Nishimoto, N, Terae, S, Jiang, G, Uesugi, M, Terashita, T, Tanikawa, T, Endou, A, Ogasawara, K, Sakurai, T
Published in Japan Journal of Medical Informatics (2005)
Published in Japan Journal of Medical Informatics (2005)
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Journal Article
An Elucidation of the Interaction Between Pt Particles and CeO2 Surfaces Using Tight-Binding Quantum Chemistry Method
Jung, S., Suzuki, A., Tsuboi, H., Hatakeyama, N., Endou, A., Takaba, H., Kubo, M., Miyamoto, A.
Published in Topics in catalysis (01.06.2010)
Published in Topics in catalysis (01.06.2010)
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Journal Article
Quantum chemical studies for oxidation of morpholine by Cytochrome P450
Shaikh, Abdul Rajjak, Sahnoun, Riadh, Broclawik, Ewa, Koyama, Michihisa, Tsuboi, Hideyuki, Hatakeyama, Nozomu, Endou, Akira, Takaba, Hiromitsu, Kubo, Momoji, Carpio, Carlos A.Del, Miyamoto, Akira
Published in Journal of inorganic biochemistry (2009)
Published in Journal of inorganic biochemistry (2009)
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Journal Article
NH3 Adsorption on the Brönsted and Lewis Acid Sites of V2O5(010): A Periodic Density Functional Study
Yin, Xilin, Han, Huanmei, Gunji, Isao, Endou, Akira, Cheettu Ammal, S. Salai, Kubo, Momoji, Miyamoto, Akira
Published in The journal of physical chemistry. B (03.06.1999)
Published in The journal of physical chemistry. B (03.06.1999)
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Journal Article
Combinatorial computational chemistry approach of tight-binding quantum chemical molecular dynamics method to the design of the automotive catalysts
Ito, Yuki, Jung, Changho, Luo, Yi, Koyama, Michihisa, Endou, Akira, Kubo, Momoji, Imamura, Akira, Miyamoto, Akira
Published in Applied surface science (31.01.2006)
Published in Applied surface science (31.01.2006)
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Journal Article
Conference Proceeding
Quantum-chemical study on the supported precious metal catalyst
Jung, Changho, Ito, Yuki, Endou, Akira, Kubo, Momoji, Imamura, Akira, Selvam, Parasuraman, Miyamoto, Akira
Published in Catalysis today (15.11.2003)
Published in Catalysis today (15.11.2003)
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Journal Article
Conference Proceeding
Development of tight-binding, chemical-reaction-dynamics simulator for combinatorial computational chemistry
Kubo, Momoji, Ando, Minako, Sakahara, Satoshi, Jung, Changho, Seki, Kotaro, Kusagaya, Tomonori, Endou, Akira, Takami, Seiichi, Imamura, Akira, Miyamoto, Akira
Published in Applied surface science (15.02.2004)
Published in Applied surface science (15.02.2004)
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Journal Article
Conference Proceeding
Density functional theory and tight-binding quantum chemical molecular dynamics calculations on Ce1–xCuxO2–δ catalyst and the adsorptions of CH3OH and CH3O on Ce1–xCuxO2–δ
Luo, Yi, Ito, Yuki, Zhong, Huifeng, Endou, Akira, Kubo, Momoji, Manogaran, Sadasivam, Imamura, Akira, Miyamoto, Akira
Published in Chemical physics letters (19.01.2004)
Published in Chemical physics letters (19.01.2004)
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