• 1941 Citations
  • 28 h-Index
19992021

Research output per year

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Personal profile

External positions

Faculty of Science

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Research Output

  • 1941 Citations
  • 28 h-Index
  • 82 Article
  • 2 Chapter
  • 2 Conference contribution
  • 2 Conference article

A three states model for hydrogen abstraction reactions with the cytochrome P450 compound I is revisited. Isolobal and isospin analogy among Fe(IV)=O, O = O and O

Miyagawa, K., Isobe, H., Shoji, M., Kawakami, T., Yamanaka, S. & Yamaguchi, K., Jan 15 2021, In : Journal of Photochemistry and Photobiology A: Chemistry. 405, 112902.

Research output: Contribution to journalArticle

  • Relative stability among intermediate structures in S2 state of CaMn4O5 cluster in PSII by using hybrid-DFT and DLPNO-CC methods and evaluation of magnetic interactions between Mn ions

    Miyagawa, K., Kawakami, T., Suzuki, Y., Isobe, H., Shoji, M., Yamanaka, S., Okumura, M., Nakajima, T. & Yamaguchi, K., Jan 15 2021, In : Journal of Photochemistry and Photobiology A: Chemistry. 405, 112923.

    Research output: Contribution to journalArticle

  • Development of broken-symmetry (BS) methods in chemical reactions. A theoretical view of water oxidation in photosystem II and related systems

    Yamaguchi, K., Isobe, H., Shoji, M., Miyagawa, K., Yamanaka, S., Kawakami, T. & Nakajima, T., Nov 1 2020, In : Journal of Photochemistry and Photobiology A: Chemistry. 402, 112791.

    Research output: Contribution to journalArticle

  • Domain-based local pair natural orbital CCSD(T) calculations of strongly correlated electron systems: Examination of dynamic equilibrium models based on multiple intermediates in S1 state of photosystem II

    Miyagawa, K., Kawakami, T., Suzuki, Y., Isobe, H., Shoji, M., Yamanaka, S., Okumura, M., Nakajima, T. & Yamaguchi, K., Jun 17 2020, In : Molecular Physics. 118, 12, e1666171.

    Research output: Contribution to journalArticle