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K

Kizashi Yamaguchi

university of osaka

65H指数
1.2K论文数
2.3W被引数
收录论文 152
发表时间
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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非微扰方法在原子、分子及分子聚集体线性与非线性响应中的应用：一种关于分子量子信息与量子生物学的理论方法
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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.
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems密度和自旋密度的线性响应函数，用于单核和多核过渡金属系统的QM/MM方法的系统建模
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
err分享
err收藏
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
err分享
err收藏
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.
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏

研究方向

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