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Kizashi Yamaguchi

Kizashi Yamaguchi

D-Index & Metrics

Chemistry

D-Index
73
Citations
22678
World Ranking
4892
National Ranking
277

Overview

Kizashi Yamaguchi is affiliated with Osaka University in Japan and has a research focus spanning biochemistry, genetics and molecular biology, physics and astronomy, and chemistry. Their work integrates experimental and theoretical approaches to study complex chemical and physical processes.

The scientist's research contributions cover key fields such as molecular biology, atomic and molecular physics and optics, inorganic chemistry, materials chemistry, and electronic, optical and magnetic materials. Their work particularly emphasizes photosynthetic processes and mechanisms, spectroscopy and quantum chemical studies, metal-catalyzed oxygenation mechanisms, porphyrin and phthalocyanine chemistry, magnetism in coordination complexes, photoreceptor and optogenetics research, and electrocatalysts for energy conversion.

Notable recent publications include:

  • Oxygen-evolving photosystem II structures during S1-S2-S3 transitions, 2024, Nature
  • Exploring reaction pathways for the structural rearrangements of the Mn cluster induced by water binding in the S3 state of the oxygen evolving complex of photosystem II, 2020, Journal of Photochemistry and Photobiology A Chemistry
  • Estimation of spin contamination errors in DFT/plane-wave calculations of solid materials using approximate spin projection scheme, 2020, Chemical Physics Letters
  • Geometric, electronic and spin structures of the CaMn4O5 catalyst for water oxidation in oxygen-evolving photosystem II. Interplay between experiments and theoretical computations, 2022, Coordination Chemistry Reviews
  • Development of broken-symmetry (BS) methods in chemical reactions. A theoretical view of water oxidation in photosystem II and related systems, 2020, Journal of Photochemistry and Photobiology A Chemistry

Frequent coauthors with whom Yamaguchi has collaborated extensively include Hiroshi Isobe, Takashi Kawakami, Mitsuo Shoji, Koichi Miyagawa, and Shusuke Yamanaka.

The scientist has published regularly in venues such as Chemical Physics Letters, Journal of Photochemistry and Photobiology A Chemistry, ACS Omega, Chemistry, and Molecular Physics.

Best Publications

  • A spin correction procedure for unrestricted Hartree-Fock and Møller-Plesset wavefunctions for singlet diradicals and polyradicals

    K. Yamaguchi;F. Jensen;A. Dorigo;K.N. Houk

  • Ab initio computations of effective exchange integrals for H–H, H–He–H and Mn2O2 complex: comparison of broken-symmetry approaches

    T. Soda;Y. Kitagawa;T. Onishi;Y. Takano

  • The electronic structures of biradicals in the unrestricted Hartree-Fock approximation

    Kizashi Yamaguchi

  • Theoretical Study on Second Hyperpolarizabilities of Phenylacetylene Dendrimer: Toward an Understanding of Structure−Property Relation in NLO Responses of Fractal Antenna Dendrimers

    Masayoshi Nakano;Harunori Fujita;Masahiro Takahata;Kizashi Yamaguchi

  • Mapping of the Hot Spots for DNA Damage by One-Electron Oxidation: Efficacy of GG Doublets and GGG Triplets as a Trap in Long-Range Hole Migration

    Isao Saito;Takashi Nakamura;Kazuhiko Nakatani;Yasunori Yoshioka

  • Distribution of odd electrons in ground-state molecules

    Kazuo Takatsuka;Takayuki Fueno;Kizashi Yamaguchi

  • Electroconductive porous coordination polymer Cu[Cu(pdt)2] composed of donor and acceptor building units.

    Shinya Takaishi;Miyuki Hosoda;Takashi Kajiwara;Hitoshi Miyasaka

  • Second Hyperpolarizability (γ) of Singlet Diradical System: Dependence of γ on the Diradical Character

    Masayoshi Nakano;Ryohei Kishi;Tomoshige Nitta;Takashi Kubo

  • A general algorithm for calculation of Heisenberg exchange integrals J in multispin systems

    M. Shoji;K. Koizumi;Y. Kitagawa;T. Kawakami

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

    Michihiro Suga;Michihiro Suga;Fusamichi Akita;Fusamichi Akita;Keitaro Yamashita;Yoshiki Nakajima

  • Size-consistent approach and density analysis of hyperpolarizability: Second hyperpolarizabilities of polymeric systems with and without defects

    Masayoshi Nakano;Isamu Shigemoto;Satoru Yamada;Kizashi Yamaguchi

  • Ab Initio MO Calculations of Effective Exchange Integrals between Transition-Metal Ions via Oxygen Dianions: Nature of the Copper-Oxygen Bonds and Superconductivity

    Kizashi Yamaguchi;Yoichi Takahara;Takayuki Fueno;Keiichiro Nasu

  • Extended Hartree-Fock (EHF) theory of chemical reactions: III. Projected Mller-Plesset (PMP) perturbation wavefunctions for transition structures of organic reactions

    K. Yamaguchi;Y. Takahara;T. Fueno;K. N. Houk

  • MOLECULAR ORBITAL (MO) THEORY FOR MAGNETICALLY INTERACTING ORGANIC COMPOUNDS. AB-INITIO MO CALCULATIONS OF THE EFFECTIVE EXCHANGE INTEGRALS FOR CYCLOPHANE-TYPE CARBENE DIMERS

    Kizashi Yamaguchi;Hiroaki Fukui;Takayuki Fueno

  • Effective exchange integrals for open-shell species by density functional methods

    Unknown

  • Ab initio molecular orbital calculations of effective exchange integrals between transition metal ions

    Kizashi Yamaguchi;Tetsuya Tsunekawa;Yasuyuki Toyoda;Takayuki Fueno

  • EHF theory of chemical reactions Part 4. UNO CASSCF, UNO CASPT2 and R(U)HF coupled-cluster (CC) wavefunctions

    S. Yamanaka;M. Okumura;M. Nakano;K. Yamaguchi

  • EXPERIMENTAL AND THEORETICAL STUDIES ON THE SELECTIVITY OF GGG TRIPLETS TOWARD ONE-ELECTRON OXIDATION IN B-FORM DNA

    Yasunori Yoshioka;Yasutaka Kitagawa;Yu Takano;Kizashi Yamaguchi

  • Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell π-conjugated systems

    Benoît Champagne;Edith Botek;Masayoshi Nakano;Tomoshige Nitta

  • A molecular-orbital theoretical classification of reactions of singlet ground-state molecules

    Kizashi Yamaguchi;Takayuki Fueno;Hideo Fukutome

  • DFT studies of interaction between O 2 and Au clusters. The role of anionic surface Au atoms on Au clusters for catalyzed oxygenation

    Mitsutaka Okumura;Yasutaka Kitagawa;Masatake Haruta;Kizashi Yamaguchi

Frequent Co-Authors

Mitsutaka Okumura
Mitsutaka Okumura Osaka University
Masayoshi Nakano
Masayoshi Nakano Osaka University
Haruki Nakamura
Haruki Nakamura Osaka University
Jian-Ren Shen
Jian-Ren Shen Okayama University
Kazuhiro Nakasuji
Kazuhiro Nakasuji Osaka University
Yasushi Morita
Yasushi Morita Aichi Institute of Technology
Koji Ohta
Koji Ohta National Institute of Advanced Industrial Science and Technology
Kenji Kamada
Kenji Kamada National Institute of Advanced Industrial Science and Technology
Benoît Champagne
Benoît Champagne University of Namur
Takashi Kubo
Takashi Kubo Osaka University

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