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K

Kizashi Yamaguchi

university of osaka

65H-index
1.2KPaper Count
2.3WCitation Count
Published Papers 152
Publication Date
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Non-Perturbative Approaches to Linear and Nonlinear Responses of Atoms, Molecules, and Molecular Aggregates: A Theoretical Approach to Molecular Quantum Information and Quantum Biology
errCHEMISTRY-SWITZERLAND
IF2.4
err2025-10-07
err0
errOAAI
errYamada, Satoru; Kobayashi, Takao; Takahata, Masahiro; Nitta, Hiroya; Isobe, Hiroshi; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka; Yamaguchi, Kizashi
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Conformational Flexibility of D1-Glu189: A Crucial Determinant in Substrate Water Selection, Positioning, and Stabilization within the Oxygen-Evolving Complex of Photosystem II
errACS OMEGA
IF4.3
err2024-12-05
err2
PREAI
errIsobe, Hiroshi; Suzuki, Takayoshi; Suga, Michihiro; Shen, Jian-Ren; Yamaguchi, Kizashi
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Water oxidation utilizing a ruthenium complex featuring a phenolic moiety inspired by the oxygen-evolving centre (OEC) of photosystem II
errSUSTAINABLE ENERGY & FUELS
IF4.1
err2024-01-01
err2
PREAI
errKumagai, Yugo; Takabe, Risa; Nakazono, Takashi; Shoji, Mitsuo; Isobe, Hiroshi; Yamaguchi, Kizashi; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka; Wada, Tohru
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The Nature of the Chemical Bonds of High-Valent Transition-Metal Oxo (M=O) and Peroxo (MOO) Compounds: A Historical Perspective of the Metal Oxyl-Radical Character by the Classical to Quantum Computations
errMOLECULES
IF4.6
err2023-10-16
err2
errOAAI
errYamaguchi, Kizashi; Isobe, Hiroshi; Shoji, Mitsuo; Kawakami, Takashi; Miyagawa, Koichi
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Geometric, electronic and spin structures of the CaMn4O5 catalyst for water oxidation in oxygen-evolving photosystem II. Interplay between experiments and theoretical computations
errCOORDINATION CHEMISTRY REVIEWS
IF23.5
err2022-11-01
err12
PREAI
errYamaguchi, Kizashi; Shoji, Mitsuo; Isobe, Hiroshi; Kawakami, Takashi; Miyagawa, Koichi; Suga, Michihiro; Akita, Fusamichi; Shen, Jian-Ren
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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
errJOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
IF4.7
err2021-01-01
err5
errOAAI
errMiyagawa, Koichi; Isobe, Hiroshi; Shoji, Mitsuo; Kawakami, Takashi; Yamanaka, Shusuke; Yamaguchi, Kizashi
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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
errJOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
IF4.7
err2021-01-01
err17
PREAI
errIsobe, Hiroshi; Shoji, Mitsuo; Suzuki, Takayoshi; Shen, Jian-Ren; Yamaguchi, Kizashi
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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
errJOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
IF4.7
err2021-01-01
err10
PREAI
errMiyagawa, K.; Kawakami, T.; Suzuki, Y.; Isobe, H.; Shoji, M.; Yamanaka, S.; Okumura, M.; Nakajima, T.; Yamaguchi, K.
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Development of broken-symmetry (BS) methods in chemical reactions. A theoretical view of water oxidation in photosystem II and related systems
errJOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
IF4.7
err2020-11-01
err4
PREAI
errYamaguchi, Kizashi; Isobe, Hiroshi; Shoji, Mitsuo; Miyagawa, Koichi; Yamanaka, Shusuke; Kawakami, Takashi; Nakajima, Takahito
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Clarification of the Relationship between the Magnetic and Conductive Properties of Infinite Chains in Trioxotriangulene Radical Crystals by Spin-Projected DFT/Plane-Wave Calculations
errADVANCED THEORY AND SIMULATIONS
IF2.9
err2020-06-08
err11
PREAI
errTada, Kohei; Kawakami, Takashi; Tanaka, Shingo; Okumura, Mitsutaka; Yamaguchi, Kizashi
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Theoretical and computational investigations of geometrical, electronic and spin structures of the CaMn4OX (X=5, 6) cluster in the Kok cycle Si (i=0-3) of oxygen evolving complex of photosystem II
errPHYSIOLOGIA PLANTARUM
IF3.6
err2019-04-04
err14
PREAI
errYamaguchi, Kizashi; Yamanaka, Shusuke; Isobe, Hiroshi; Shoji, Mitsuo; Miyagawa, Kouichi; Nakajima, Takahito; Kawakami, Takashi; Okumura, Mitsutaka
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Spin, Valence, and Structural Isomerism in the S3 State of the Oxygen-Evolving Complex of Photosystem II as a Manifestation of Multimetallic Cooperativity
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-03-11
err44
PREAI
errIsobe, Hiroshi; Shoji, Mitsuo; Suzuki, Takayoshi; Shen, Jian-Ren; Yamaguchi, Kizashi
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Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems
errMOLECULES
IF4.6
err2019-02-25
err2
errOAAI
errKitakawa, Colin K.; Maruyama, Tomohiro; Oonari, Jinta; Mitsuta, Yuki; Kawakami, Takashi; Okumura, Mitsutaka; Yamaguchi, Kizashi; Yamanaka, Shusuke
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UNO DMRG CAS CI calculations of binuclear manganese complex Mn(IV)2O2(NHCHCO2)4: Scope and applicability of Heisenberg model
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-10-20
err16
PREAI
errKawakami, Takashi; Miyagawa, Koichi; Sharma, Sandeep; Saito, Toru; Shoji, Mitsuo; Yamada, Satoru; Yamanaka, Shusuke; Okumura, Mitsutaka; Nakajima, Takahito; Yamaguchi, Kizashi
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Effects of the ether oxygen atom in alkyl side chains on the physical properties of piperidinium ionic liquids
errFARADAY DISCUSSIONS
IF3.1
err2018-01-01
err15
PREAI
errNokami, T.; Yamashita, T.; Komura, T.; Handa, N.; Shimizu, M.; Yamaguchi, K.; Domi, Y.; Usui, H.; Sakaguchi, H.; Itoh, T.
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Biological approaches to artificial photosynthesis, fundamental processes and theoretical approaches: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2017-01-01
err0
PREAI
errArtero, Vincent; Hammarstrom, Leif; Fan, Fengtao; Whang, Dong Ryeol; Martinez, Jose; Harriman, Anthony; Noguchi, Takumi; Karlsson, Joshua; Summers, Peter; Itoh, Shigeru; Cogdell, Richard; Kibler, Alexander; Ehrmaier, Johannes; Tamiaki, Hitoshi; Fujita, Etsuko; Shima, Seigo; Yoshino, Shunya; Inoue, Haruo; Wasielewski, Michael; Corry, Thomas; Gust, Devens; Cassiola, Flavia; Ishida, Hitoshi; Takagi, Katsuhiko; Kang, Sang Ook; Li, Can; Sun, Licheng; Park, Hyunwoong; Hashimoto, Hideki; Amao, Yutaka; Son, Eun Jin; Kamiya, Nobuo; Shen, Jian-Ren; Yamaguchi, Kizashi
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Large-scale QM/MM calculations of the CaMn4O5 cluster in the S3 state of the oxygen evolving complex of photosystem II. Comparison between water-inserted and no water-inserted structures
errFARADAY DISCUSSIONS
IF3.1
err2017-01-01
err30
PREAI
errShoji, Mitsuo; Isobe, Hiroshi; Nakajima, Takahito; Shigeta, Yasuteru; Suga, Michihiro; Akita, Fusamichi; Shen, Jian-Ren; Yamaguchi, Kizashi
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Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II
errINORGANIC CHEMISTRY
IF4.7
err2015-12-30
err93
PREAI
errIsobe, Hiroshi; Shoji, Mitsuo; Shen, Jian-Ren; Yamaguchi, Kizashi
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Theoretical Studies on the Magnetic and Conductive Properties of Crystals Containing Open-Shell Trioxotriangulene Radicals
errBULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
IF3.8
err2015-12-15
err16
PREAI
errKinoshita, Keiji; Kawakami, Takashi; Morita, Yasushi; Saito, Toru; Yamanaka, Shusuke; Okumura, Mitsutaka; Yamaguchi, Kizashi
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Theoretical Study of Electronic Properties of Phenalenyl Radical and Zethrene Diradical Species: Possibility of Triplet Oxygen Adsorption onto Graphene Surface
errBULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
IF3.8
err2014-09-22
err8
PREAI
errKinoshita, Keiji; Kawakami, Takashi; Yoshimura, Shohei; Saito, Toru; Kitagawa, Yasutaka; Yamanaka, Shusuke; Okumura, Mitsutaka; Yamaguchi, Kizashi
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Research Directions

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Co-authors
Cooperation Journals
K
K. N. Houk
H-index: 157 · Papers: 2.6K
M
Michael R. Wasielewski
H-index: 135 · Papers: 1.3K
孙
孙立成 (Licheng Sun)
H-index: 134 · Papers: 1.2K
S
Sadamichi Maekawa
H-index: 91 · Papers: 969
D
Devens Gust
H-index: 87 · Papers: 472
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