Theoretical Study on Controlling Factors of Conical Intersections Using Spin-Flip Frozen Orbital Analysis-Reference-Cited by-同舟云学术

Theoretical Study on Controlling Factors of Conical Intersections Using Spin-Flip Frozen Orbital Analysis

Published:2023 Issue:2 Volume:22 Page:41-49
ISSN:1347-1767
Container-title:Journal of Computer Chemistry, Japan
language:en
Short-container-title:J. Comput. Chem. Jpn.

Author:

IKABATA Yasuhiro¹²,YOSHIKAWA Takeshi³,NAKAI Hiromi⁴⁵,OGAWA Kentaro³,SAKATA Ken³

Affiliation:

1. Information and Media Center, Toyohashi University of Technology, 1-1Hibarigaoka, Tempaku, Toyohashi, Aichi 441-8580, JAPAN

2. Department of Computer Science and Engineering, Toyohashi University of Technology, 1-1Hibarigaoka, Tempaku, Toyohashi, Aichi 441-8580, JAPAN

3. Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, JAPAN

4. Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555, JAPAN

5. Waseda Research Institute for Science and Engineering, Waseda University, 3-4-1Okubo, Shinjuku, Tokyo 169-8555, JAPAN

Funder

Japan Society for the Promotion of Science

Publisher

Society of Computer Chemistry Japan

Link

https://www.jstage.jst.go.jp/article/jccj/22/2/22_2023-0021/_pdf

Reference20 articles.

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3. [3] T. Baba, Y. Imamura, M. Okamoto, H. Nakai, Chem. Lett., 37, 322 (2008). doi:10.1246/cl.2008.322

4. [4] H. Nakai, "Rules for excited states of degenerate systems: Interpretation by frozen orbital analysis", pp. 363–395 in Advances in the Theory of Atomic and Molecular Systems: Conceptual and Computational Advances in Quantum Chemistry, Progress in Theoretical Chemistry and Physics, P. Piecuch, J. Maruani, G. Delgado-Barrio, S. Wilson (Eds.) (Springer, 2009). doi:10.1007/978-90-481-2596-8_18

5. [5] Y. Imamura, T. Baba, H. Nakai, Chem. Lett., 38, 528 (2009). doi:10.1246/cl.2009.528