• 1802 Citations
  • 27 h-Index

Research output per year

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Personal profile

External positions

Faculty of Science

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Research Output

  • 1802 Citations
  • 27 h-Index
  • 78 Article
  • 3 Conference contribution
  • 1 Chapter

Theory of chemical bonds in metalloenzymes XXIII fundamental principles for the photo-induced water oxidation in oxygen evolving complex of photosystem II

Yamaguchi, K., Yamanaka, S., Isobe, H., Shoji, M., Miyagawa, K. & Kawakami, T., Jan 1 2020, (Accepted/In press) In : Molecular Physics. e1725168.

Research output: Contribution to journalArticle

  • UNO(ULO) active space for multireference calculations on classical and quantum computers. Revisit to the iron-sulfur complexes

    Miyagawa, K., Shoji, M., Isobe, H., Yamanaka, S., Kawakami, T., Okumura, M. & Yamaguchi, K., May 2020, In : Chemical Physics Letters. 746, 137252.

    Research output: Contribution to journalArticle

  • An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser

    Suga, M., Akita, F., Yamashita, K., Nakajima, Y., Ueno, G., Li, H., Yamane, T., Hirata, K., Umena, Y., Yonekura, S., Yu, L. J., Murakami, H., Nomura, T., Kimura, T., Kubo, M., Baba, S., Kumasaka, T., Tono, K., Yabashi, M., Isobe, H. & 4 others, Yamaguchi, K., Yamamoto, M., Ago, H. & Shen, J. R., Oct 18 2019, In : Science. 366, 6463, p. 334-338 5 p.

    Research output: Contribution to journalArticle

  • 12 Citations (Scopus)
  • 3 Citations (Scopus)

    Domain-based local pair natural orbital CCSD(T) calculations of fourteen different S2 intermediates for water oxidation in the Kok cycle of OEC of PSII. Re-visit to one LS-two HS model for the S2 state

    Miyagawa, K., Isobe, H., Kawakami, T., Shoji, M., Yamanaka, S., Okumura, M., Nakajima, T. & Yamaguchi, K., Nov 2019, In : Chemical Physics Letters. 734, 136731.

    Research output: Contribution to journalArticle

  • 2 Citations (Scopus)