1 | .Assessment of the Performance of Fuel Cells and Batteries Mark C. Williams, Ai Suzuki, and Akira Miyamoto |
2 | Antiwear Chemistry of ZDDP: Coupling Classical MD and Tight-Binding Quantum Chmical MD Methods (TB-QCMD) Tasuku Onodera, Jean Michel Martin, Clotilde Minfray, |
3 | Anti-wear Chemistry of ZDDP and Calcium Borate Nano-additives. Coupling Experiments, Chemical Hardness Predictions and MD Calculations Jean-Michel Martin, Tasuku Onodera, Maria Isable De Barros Bouchet, Nozomu Hatakeyama, and Akira Miyamoto |
4 | Application of Reaction Time Accelerating Molecular Dynamic to Modeling of Metallocene-Catalyzed Ethylene/1-butene Copolymerization Hiromitsu Takaba, Huifeng Zhong, Hideyuki Tsuboi, Momoji Kubo, Akira Miyamoto |
5 | Development of Three Dimensional Kinetic Monte Carlo (3D-KMC) Grain Growth Simulator Based on Tight Binding Quantum Chemical Molecular Dynamics and Its Application to the Analysis of Thermal Grain Growth of CeO2 and Rh/CeO2 Journal of Computer Chemistry, Japan, 12(1), (2013), 61-70 Ai Suzuki, Mark C. Williams, Kenji Inaba, Ryo Sato, Kotaro Okushi, Ryuji Miura, Nozomu Hatakeyama, Akira Miyamoto |
6 | Theoretical Studies on Ethene Formation from Ethyl-Palladium(II) Complexes by Using DFT Method Including Solvent Effects Hiroaki Munakata, Rado Raharintsalama, Akira Miyamoto |
7 | 量子化学が創る新しい化学工学 宮本 明, 畠山 望, 鈴木 愛, 三浦 隆治 |
8 | Theoretical Assessment of Emission Efficiency of Eu2+-doped Phosphors Based on
Alkaline-Earth Network Hiroaki Onuma, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto |
9 | Computational Chemistry Study on the Microscopic Interactions between Biomolecules and Hydrophilic Polymeric Materials Ryo Nagumo, Kazuki Akamatsu, Ryuji Miura, Ai Suzuki, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto |
10 | Proton-conducting Blend Membranes of Nafion/Poly (Vinylphosphonic Acid) for Proton Exchange Membrane Fuel Cells Unal Sen, Oktay Acar, Sevim Unugur Celik, Ayhan Bozkurt, Ali Ata, Takashi Tokumasu, Akira Miyamoto |
11 | .量子分子動力学法による潤滑プロセスにおけるトライボケミカル反応の解明 宮本 明, 三浦 隆治, 鈴木 愛, 畠山 望 |
12 | Mixed Lubrication with C18 Fatty Acids: Effect of Unsaturation Sophie Loehle, Christine Matta, Clotilde Minfray, Thierry Le Mogne, Jean-Michel Martin, Raphaele Iovine, Yukiko Obara, Ryuji Miura, Akira Miyamoto |
13 | 産業革新のための実践的計算化学―低炭素技術への応用 宮本 明, 畠山 望, 鈴木 愛, 三浦 隆治 |
14 | Performance Envelope for Fuel Cell Heat Engine Hybrids and Heat Engine Combustors Wolfgang Winkler, Ai Suzuki, Akira Miyamoto, Mark C. Williams |