Art

J-GLOBAL ID：201902220210794050   Reference number：19A0234687

Theoretical Elucidation of Geometrical Structures of the CaMn₄O₅ Cluster in Oxygen Evolving Complex of Photosystem II Scope and Applicability of Estimation Formulae of Structural Deformations via the Mixed-Valence and Jahn-Teller Effects

光化学系IIの酸素発生複合体におけるCaMn_4O_5クラスタの幾何学的構造の理論的解明と混合原子価とJahn-Teller効果による構造変形の推定式の適用可能性【JST・京大機械翻訳】

Author (8)： Shoji Mitsuo (Center of Computational Sciences, Tsukuba University, Tsukuba, Japan) ,  Isobe Hiroshi (Graduate School of Natural Science and Technology, Okayama University, Okayama, Japan) ,  Yamanaka Shusuke (Graduate School of Science, Osaka University, Osaka, Japan) ,  Umena Yasufumi (The OUC Advanced Research Institute for Natural Science and Technology (OCARNA), Osaka, City University, Osaka, Japan) ,  Kawakami Keisuke (The OUC Advanced Research Institute for Natural Science and Technology (OCARNA), Osaka, City University, Osaka, Japan) ,  Kamiya Nobuo (The OUC Advanced Research Institute for Natural Science and Technology (OCARNA), Osaka, City University, Osaka, Japan) ,  Yamaguchi Kizashi (Institute for Nanoscience Design, Osaka University, Toyonaka, Japan) ,  Yamaguchi Kizashi (Handairigaku Techno-Research, Toyonaka, Japan)
Material： Advances in Quantum Chemistry  (Adv Quantum Chem)
Volume： 78  Page： 307-451  Publication year： 2019 
JST Material Number： H0112C  ISSN： 0065-3276  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： Atmospheric oxygenation and ev...

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Thesaurus term： molecular structure ,  complex(compound) ,  femtosecond ,  *cluster ,  EXAFS ,  photosynthesis ,  reactivity ,  Cyanophyta ,  *oxygen evolution ,  X-ray ,  calculation ,  active site ,  X-ray diffraction ,  *photosystem II
Semi thesaurus term： 酸化状態 , 【Automatic Indexing@JST】

Author keywords (14)： BS ,  CaMn₄O₅ cluster ,  EXAFS ,  HR-XRD ,  Jahn-Teller (JT) effect ,  JT formulae ,  LD-XRD ,  OEC ,  PSII ,  SFX ,  UB3LYP ,  XES ,  XFEL ,  XRD

JST classification (1)： Electronic structure of molecules  (BH05010Q)

Terms in the title (9)： 光化学系II ,  酸素発生複合体 ,  クラスタ ,  幾何学 ,  理論 ,  混合原子価 ,  Jahn-Teller効果 ,  推定式 ,  適用可能性