年別の研究成果
年別の研究成果
検索結果
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2018
Free energy analyses for the ATP hydrolysis in aqueous solution by large-scale QM/MM simulations combined with a theory of solutions
Takahashi, H., 2018 5月 7, The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery. Springer Singapore, p. 3-23 21 p.研究成果: 書籍の章/レポート/Proceedings › 章 › 査読
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2015
Development of a massively parallel QM/MM approach combined with a theory of solutions
Takahashi, H. & Matubayasi, N., 2015, Challenges and Advances in Computational Chemistry and Physics. Springer, p. 153-196 44 p. (Challenges and Advances in Computational Chemistry and Physics; vol. 21).研究成果: 書籍の章/レポート/Proceedings › 章 › 査読
1 被引用数 (Scopus) -
2010
Development of a Quantum Chemical Method Combined with a Theory of Solutions—Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations
Takahashi, H., Matubayasi, N. & Nakano, M., 2010 1月 1, Advances in Quantum Chemistry. C ed. p. 283-351 69 p. (Advances in Quantum Chemistry; vol. 59, no. C).研究成果: 書籍の章/レポート/Proceedings › 章 › 査読
3 被引用数 (Scopus) -
2008
A Quantum Chemical Approach to Free Energy Calculation for Chemical Reactions in Condensed System: Combination of a Quantum Chemical Method with a Theory of Statistical Mechanics
Takahashi, H., Matubayasi, N. & Nakano, M., 2008, Challenges and Advances in Computational Chemistry and Physics. Springer, p. 455-505 51 p. (Challenges and Advances in Computational Chemistry and Physics; vol. 6).研究成果: 書籍の章/レポート/Proceedings › 章 › 査読
3 被引用数 (Scopus)