Kyoto University · Faculty of Engineering / Graduate School of Engineering · 教授

Research keywordsRISM-SCF・RISM・PYP・Theoretical Chemistry・Chemical Physics・液体の積分方程式理論・構造揺らぎ・構造揺ら

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• Extended Curtin-Hammett principle: Origin of pathway selection in reversible reaction networks under kinetic control2023 · 2023年04月04日
• Constant-potential molecular dynamics simulations on an electrode-electrolyte system: Calculation of static quantities and comparison of two polarizable metal electrode modelsCHEMICAL PHYSICS LETTERS,
• Raman Spectroscopic and DFT Study of COA-Cl and Its AnaloguesThe Journal of Physical Chemistry A,
• Self-consistent parametrization of DFT plus U framework using linear response approach: Application to evaluation of redox potentials of battery cathodesPHYSICAL REVIEW B,

• 配向と配位の分子理論：新しい分子構造表現の探求
• 溶液内の遷移金属錯体・クラスターの安定性とダイナミックスに関する講究
• 生命分子システムにおける動的秩序形成と高次機能発現の研究に関する総括
• 構造の揺らぎと柔軟性を考慮した溶液内化学反応理論の構築

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