1 | A Theoretical Investigation on the Dynamic Behavior of the Molybdenum Dithiocarbamate Molecule in the Engine Oil Phase
Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, Takatoshi Shin-yoshi, Noriaki Nishino, Atsushi Suzuki, and Akira Miyamoto
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2 | Theoretical Study on Electronic and Electrical Properties of Nanostructural ZnO
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3 | Development of the Multi-Scale Simulator for the Dye-Sensitized TiO2 Nanoporous Electrode Based on Quantum Chemical Calculation
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4 | Effect of Surface Termination on Super-Low Friction of Diamond Film: A Theoretical Study
Yusuke Morita, Toshiaki Shibata, Tasuku Onodera, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
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5 | Development of a Seebeck
Coefficient Prediction Simulator Using Tight-Binding
Riadh Sahnoun, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
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6 | Influence of Organic Functional Groups on the Electrical Properties of Carbon Black A Theoretical Study
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7 | Development of Three-Dimensional Porous Structure Simulator POCO2 for Simulations of Irregular Porous Materials
Riadh Sahnoun, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
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8 | Theoretical Investigation of Ethylene/1-Butene Copolymerization Process Using Constrained Geometry Catalyst (CpSiH2NH)-Ti-Cl2
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9 | Development of a New Molecular Dynamics Method for Tribochemical Reaction and Its Application to Formation Dynamics of MoS2 Tribofilm
Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Takatoshi Shin-yoshi, Noriaki Nishino, Atsushi Suzuki, and Akira Miyamoto
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10 | Development of Porous Structure Simulator for Multi-Scale Simulation of Irregular Porous Catalysts
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11 | Development of Overpotential Simulator for Polymer Electrolyte Fuel Cells and Application for Optimization of Cathode Structure
Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
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12 | Development of the Reaction Time Accelerating Molecular Dynamics Method for Simulation of Chemical Reaction
Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
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13 | A Theoretical Investigation on the Abrasive Wear Prevention Mechanism of ZDDP and ZP Tribofilms
Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Clotilde Minfray, Jean-Michel Martin, and Akira Miyamoto
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14 | Experimental and Molecular Dynamics Simulations of Tribochemical Reactions with ZDDP: Zinc Phosphate-Iron Oxide Reaction
Carlos A. Del Carpio, Jean-Michel Martin, and Akira Miyamoto
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15 | A Theoretical Study of Dynamic Behavior of Diphenyldisulphide Molecule on Fe Surface: Novel Ultra-Accelerated Quantum Chemical Molecular Dynamics Approach
Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, and Akira Miyamoto
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16 | Challenge toward Microstructure Optimization of Irregular Porous Materials by Three-Dimensional Porous Structure Simulator
Riadh Sahnoun, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, and Akira Miyamoto
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17 | Multi-scale Simulation Approach for Polymer Electrolyte Fuel Cell Cathode Design
A. Endou, H. Takaba, C. A. Del Carpio, R. C. Deka, M. Kubo and A. Miyamoto
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18 | A Theoretical Study on Chemical Reaction of Water Molecules under Laser Irradiation: Ultra Accelerated Quantum Chemical Molecular Dynamics Approach
Nanotechnology 2008,3,(2008),713-716
Akira Endou, Ayumi Nomura, Yumiko Sasaki, Keiko Chiba, Hokuto Hata, Kotaro Okushi, Ai Suzuki, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Masayoshi Kitada, Hajime Kabashima, Akira Miyamoto
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19 | Multi-level Computational Chemistry Approach for Phase Change Behavior of Water induced by Laser Irradiation
Clean Technology 2008,(2008),487-490
Hiromitsu Takaba, Ayumi Nomura, Yumiko Sasaki, Keiko Chiba, Hokuto Hata, Kotaro Okushi, Ai Suzuki, Hideyuki Tsuboi, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Momoji Kubo, Carlos A. Del Carpio, Masayoshi Kitada, Hajime Kabashima, Akira Miyamoto
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20 | Ultra Accelerated Quantum Chemical Molecular Dynamics Study on Mechanochemical Reaction of Micro-Bubble Induced by Shock Wave
Clean Technology 2008,(2008),491-494
Nozomu Hatakeyama, Ayumi Nomura, Yumiko Sasaki, Keiko Chiba, Hokuto Hata, Kotaro Okushi, Ai Suzuki, Michihisa Koyama, Hideyuki Tsuboi, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Masayoshi Kitada, Hajime Kabashima, Akira Miyamoto
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