Kaho Nakatani, Hirofumi Sato, Ryoichi Fukuda. Catalyzed E/Z isomerization mechanism of stilbene using para-benzoquinone as a triplet sensitizer. Physical Chemistry Chemical Physics. 2022. 24. 3. 1712-1721
Kaho Nakatani, Masahiro Higashi, Ryoichi Fukuda, Hirofumi Sato. An analysis of valence electronic structure from a viewpoint of resonance theory: Tautomerization of formamide and diazadiboretidine. JOURNAL OF COMPUTATIONAL CHEMISTRY. 2021. 42. 23. 1662-1669
Akihiko Takamatsu, Kazuki Tamai, Saburo Hosokawa, Tsunehiro Tanaka, Masahiro Ehara, Ryoichi Fukuda. Oxidation and Storage Mechanisms for Nitrogen Oxides on Variously Terminated (001) Surfaces of SrFeO3-delta and Sr3Fe2O7-delta Perovskites. ACS APPLIED MATERIALS & INTERFACES. 2021. 13. 6. 7216-7226
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Recent advances in computational chemistry Vol.5, RECENT ADVANCES IN RELATIVISTIC MOLECULAR THEORY
World Scientific 2004 ISBN:9812387099
講演・口頭発表等 (27件):
電子励起状態の計算化学
(第10回量子化学スクール 2020)
電子励起状態の計算化学
(第9回量子化学スクール 2019)
やや複雑な電子励起状態の計算と小分子の活性化
(QCRIセミナー 2019)
理論計算化学の基礎から触媒化学へ
(第13回触媒道場 2019)
Quantum Chemistry for Confined Molecular and Electronic Structures with XP PCM
(International Collaboration Open Seminar: Theoretical and Computational Chemistry of Complex Systems 2019)