1	Combinatorial Computational Chemistry Approach for Materials Design: Applications in deNOx Catalysis, Fischer-Tropsch Synthesis, Lanthanoid Complex, and Lithium Ion Secondary Battery Combinatorial Chemistry & High Throughput Screening, 10 (2007) 99-110. Michihisa Koyama, Hideyuki Tsuboi, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
2	Novel Computational Chemistry Approaches for Studying Physico-Chemical Properties of Zeolite Materials Microporous and Mesoporous Materials, 101 (2007) 324-333. Akira Miyamoto, Yasunori Kobayashi, Mohamed Elanany, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Parasuraman Selvam
3	Investigation of the Dissociative Adsorption for Cyclopropane on the Copper Surface by Density Functional Theory and Quantum Chemical Molecular Dynamics Method Surface Science, 601 (2007) 679-685. Xiaojing Wang, Yajun Wang, Chen Lv, Momoji Kubo, and Akira Miyamoto
4	Identification of Amino Acid Residues in the Ah Receptor Involved in Ligand Binding Biochemical and Biophysical Research Communications, 354 (2007) 396-402. Kenji Goryo, Ai Suzuki, Carlos A. Del Carpio, Kazuhiro Siizaki, Eisuke Kuriyama, Yoshinori Mikami, Koshi Kinoshita, Ken-ichi Yasumoto, Agneta Rannug, Akira Miyamoto, Yoshiaki Fujii-Kuriyama, and Kazuhiro Sogawa
5	Amount of Adsorbed Water onto Surface of Glass for High-Temperature Poly-Silicon TFT in Low Humidity Environment The Society of Heating, Air-Conditioning, and Sanitary Engineers of Japan Ronbunshu,121 (2007) 25-31. Takeshi Takatsuka, Shigeo Nagasaka, Masazumi Gohdo, Kunio Miura, Michihisa Koyama, Akira Endou, Momoji Kubo, Akira Miyamoto
6	Theoretical Investigation of the Photo-Physical Properties of Black Dye Sensitizer [(H3-tctpy)M(NCS)3]-(M=Fe, Ru, Os) in Dye Sensitized Solar Cells Japanese Journal of Applied Physics, 46 (2007) 2655-2660. Agalya Govindasamy, Chen Lv, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
7	Development of Constraint Algorithm for the Number of Electrons in Molecular Orbitals Consisting Mainly 4f Atomic Orbitals of Rare Earth Elements and Its Introduction to Tight-Binding Quantum Chemical Molecular Dynamics Method Japanese Journal of Applied Physics, 46 (2007) 2505-2509. Akira Endou, Hiroaki Onuma, Sun-ho Jung, Ryota Ishimoto, Hideyuki Tsuboi, Michihisa Koyama, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
8	Large-Scale Electronic Structure Calculation of Blue Phosphor BaMgAl10O17:Eu2+ Using Tight-Binding Quantum Chemistry Method Implemented for Rare Earth Elements Japanese Journal of Applied Physics, 46 (2007) 2534-2541. Hiroaki Onuma, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Parasuraman Selvam, and Akira Miyamoto
9	Theoretical Investigation on Electrical and Electronic Properties of Carbon Materials Japanese Journal of Applied Physics, 46 (2007) 46 (2007) 2650-2654. Arunabhiram Chutia, Zhigang Zhu, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Parasuraman Selvam, and Akira Miyamoto
10	Theoretical Simulation of Dielectric Breakdown by Molecular Dynamics and Tight-Binding Quantum Chemistry Methods Japanese Journal of Applied Physics, 46 (2007) 1853-1858. Zhigang Zhu, Arunabhiram Chutia, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Parasuraman Selvam, and Akira Miyamoto
11	A Theoretical Study on the Electronic and Electrical Properties of p-Type Transparent Conducting Metal Oxides Japanese Journal of Applied Physics, 46 (2007) 2603-2608. Chen Lv, Agalya Govindasamy, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
12	Development of A Thermal Conductivity Prediction Simulator Based on the Effects of Electron Conduction and Lattice Vibration Japanese Journal of Applied Physics, 46 (2007) 2609-2614. Hideyuki Tsuboi, Hiroshi Setogawa, Chutia Arunabhiram, Zhigang Zhu, Chen Lv, Ryuji Miura, Michihisa Koyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
13	Does Metabolism of (S)-N-[1-(3-Morpholin-4-Ylphenyl)Ethyl]-3-Phenylacrylamide Occurs at the Morpholine Ring? Quantum Mechanical and Molecular Dynamics Studies Materials Transactions, 48 (2007) 740-744. Abdul Rajjak Shaikh, Carlos A. Del Carpio, Hideyuki Tsuboi, Michihisa Koyma, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Ewa Broclawik, and Akira Miyamoto
14	Theoretical Study on the ATP Hydrolysis Mechanism of HisP Protein, the ATP-Binding Subunit of ABC Transporter Materials Transactions, 48 (2007) 735-739. Qiang Pei, Carlos A. Del Carpio, Hideyuki Tsuboi, Michihisa Koyma, Akira Endou, Momoji Kubo, Ewa Broclawik, Kazumi Nishijima, Tetsuya Terasaki, and Akira Miyamoto
15	A DFT Study of the Heme Role in the N-demethylation of Theophylline Mediated by Compound I of Cytochrome P450 Materials Transactions, 48 (2007) 730-734. Mohamed Ismael, Carlos A. Del Carpio, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Momoji Kubo, Ewa Broclawik, and Akira Miyamoto
16	Electronic Structure and Electrical Conductivity of MgO Protecting Layer in Plasma-Display Panels: A Tight-Binding Quantum Chemical Study Journal of the Society for the Information Display, 15(2007) 307-313. Akira Miyamoto, Hiromi Kikuchi, Hiroaki Onuma, Hideyuki Tsuboi, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, and Carlos A. Del Carpio
17	Investigation of the Photo-Dissociation Reactions for Alkyl Nitrite by Quantum Chemical Molecular Dynamics Program “Colors-Excite” Journal of Photochemistry and Photobiology A, 187 (2007) 119-126. Xiaojing Wang, Yajun Wang, Chen Lv, Momoji Kubo, and Akira Miyamoto
18	Development of Three-Dimensional Porous Structure Simulator for Optimizing Microstructure of SOFC Anode ECS Transactions, 7 (2007) 2057-2064. Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos Del Carpio, and Akira Miyamoto
19	Influence of Both Si Wafer Surface Conditions and Molecular Collision Speeds for Adsorption Behavior by Molecular Simulation The Society of Heating, Air-Conditioning, and Sanitary Engineers of Japan Ronbunshu, 129 (2007) 13-19. Takeshi Takatsuka, Akira Miyamoto, Momoji Kubo, Akira Endou, Michihisa Koyama, and Masazumi Godo
20	Oxidation Mechanism in the Metabolism of (S)-N-[1-(3-Morpholin-4-ylphenyl)ethyl]-3-Phenylacrylamide on Oxyferryl Active Site in CYP3A4 Enzyme: DFT Modeling Journal of Molecular Modeling, 13 (2007) 851-860. Abdul Rajjak Shaikh, Ewa Broclawik, Hideyuki Tsuboi, Michihisa Koyama, Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
21	Development of Electron Emission Simulator for Protecting Layer''s Surface of Plasma Display Panel Proceedings of The 14th International Display Workshops,(2007),169-172 Hideyuki Tsuboi, Kazumi Serizawa, Hiromi Kikuchi, Riadh Sahnoun, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Hiroshi Kajiyama, Tsutae Shinoda, and Akira Miyamoto
22	Development of an Electrical Conductivity Simulator for Metal Oxides Based on Tight-Binding Quantum Chemistry Theory Proceedings of The 14th International Display Workshops,(2007),173-176 Zhigang Zhu, Kazumi Serizawa, Arunabhiram Chutia, Hiromi Kikuchi, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Hiroshi Kajiyama, Tsutae Shinoda, and Akira Miyamoto
23	Development of Large-Scale Quantum Chemical Molecular Dynamics Simulator and Its Application to PDP Materials Proceedings of The 14th International Display Workshops,(2007),177-180 Akira Endou, Kazumi Serizawa, Kei Ogiya, Hiroaki Onuma, Tasuku Onodera, Chen Lv, Hiromi Kikuchi, Ai Suzuki, Hideyuki Tsuboi, Michihisa Koyama, Nozomu Hatakeyama, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Hiroshi Kajiyama, Tsutae Shinoda, and Akira Miyamoto
24	Effect of Surface Contamination on Destruction and Recrystallization Dynamics of MgO Protecting Layer in Plasma Display Panel by Molecular Dynamics Simulation Method Proceedings of The 14th International Display Workshops,(2007),787-790 Momoji Kubo, Kazumi Serizawa, Hiromi Kikuchi, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Hiroshi Kajiyama, Tsutae Shinoda and Akira Miyamoto
25	Temperature Dependency of Host Emission from BaMgAl10O17 and Its Relationship with Geometrical Structure Proceedings of The 14th International Display Workshops,(2007),965-968 Hiroaki Onuma, Hiroaki Tanno, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Hiroshi Kajiyama, Tsutae Shinoda, and Akira Miyamoto
26	Development of Monta Program for Material and Process Design in Organic Electroluminescence and Plasma Display Panel Proceedings of The 14th International Display Workshops,(2007),1101-1104 Hiromitsu Takaba, Hiroshi Setogawa, Hiromi Kikuchi, Yukie Hayashi, Kei Ogiya, Hiroaki Onuma, Chen Lv, Sahnoun Riadh, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Momoji Kubo, Carlos A. Del Carpio, Hiroshi Kajiyama, Tsutae Shinoda and Akira Miyamoto
27	Defect Levels in BaMgAl10O17 and SrMgAl10O17: Theoretical and Experimental Approaches Proceedings of The 14th International Display Workshops,(2007),2143-2146 Hiroaki Onuma, Hiroaki Tanno, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Hiroshi Kajiyama, Tsutae Shinoda, and Akira Miyamoto