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Enhanced gas-sensing behaviour of Ru-doped SnO2 surface: A periodic density functional approach 增强的Ru掺杂SnO2表面的气敏行为: 周期性密度泛函方法 Zhu, Zhigang; Deka, Ramesh C.; Chutia, Arunabhiram; Sahnoun, Riadh; Tsuboi, Hideyuki; Koyama, Michihisa; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Del Carpio, Carlos A.; Kubo, Momoji; Miyamoto, Akira 分享 收藏
Study of Carbon Monoxide Oxidation on CeO2(111) Using Ultra Accelerated Quantum Chemical Molecular Dynamics Alam, Md. Khorshed; Ahmed, Farouq; Nakamura, Katsuyoshi; Suzuki, Ai; Sahnoun, Riadh; Tsuboi, Hideyuki; Koyama, Michihisa; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Del Carpio, Carlos A.; Kubo, Momoji; Miyamoto, Akira 分享 收藏
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; Del Carpio, Carlos A.; Miyamoto, Akira 分享 收藏
Multi-scale Simulation Approach for Polymer Electrolyte Fuel Cell Cathode Design Koyama, M.; Kim, D.; Kim, B.; Hattori, T.; Suzuki, A.; Sahnoun, R.; Tsuboi, H.; Hatakeyama, N.; Endou, A.; Takaba, H.; Del Carpio, C. A.; Deka, R. C.; Kubo, M.; Miyamoto, A. 分享 收藏
Development of the overpotential simulator for polymer electrolyte fuel cells and application for optimization of cathode structure 聚合物电解质燃料电池过电位模拟器的开发及其在阴极结构优化中的应用 Hattori, Tatsuya; Suzuki, Ai; Sahnoun, Riadh; Koyama, Michihisa; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Miyamoto, Akira 分享 收藏
Development of porous structure simulator for multi-scale simulation of irregular porous catalysts 用于不规则多孔催化剂多尺度模拟的多孔结构模拟器的研制 Koyama, Michihisa; Suzuki, Ai; Sahnoun, Riadh; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Miyamoto, Akira 分享 收藏
Development of the reaction time accelerating molecular dynamics method for simulation of chemical reaction 反应时间加速分子动力学模拟化学反应方法的发展 Takaba, Hiromitsu; Hayashi, Shigekazu; Zhong, Huifeng; Malani, Hema; Suzuki, Ai; Sahnoun, Riadh; Koyama, Michihisa; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Kubo, Momoji; Del Carrpio, Carlos A.; Miyamoto, Akira 分享 收藏
A theoretical investigation on the abrasive wear prevention mechanism of ZDDP and ZP tribofilms Onodera, Tasuku; Morita, Yusuke; Suzuki, Ai; Sahnoun, Riadh; Koyama, Michihisa; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Minfray, Clotilde; Martin, Jean-Michel; Miyamoto, Akira 分享 收藏
Development of a new molecular dynamics method for tribochemical reaction and its application to formation dynamics of MoS2 tribofilm Morita, Yusuke; Onodera, Tasuku; Suzuki, Ai; Sahnoun, Riadh; Koyama, Michihisa; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Shin-yoshi, Takatoshi; Nishino, Noriaki; Suzuki, Atsushi; Miyamoto, Akira 分享 收藏
Theoretical investigation of ethylene/1-butene copolymerization process using constrained geometry catalyst (CpSiH2NH)-Ti-Cl2 Malani, Hema; Hayashi, Shigekazu; Zhong, Huifeng; Sahnoun, Riadh; Tsuboi, Hideyuki; Koyama, Michihisa; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Miyamoto, Akira 分享 收藏
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