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.

Yamaguchi, Kizashi; Isobe, Hiroshi; Shoji, Mitsuo; Kawakami, Takashi; Miyagawa, Koichi

Yamaguchi, Kizashi; Isobe, Hiroshi; Shoji, Mitsuo; Kawakami, Takashi; Miyagawa, Koichi.

Afiliación

Yamaguchi K; SANKEN, Osaka University, Ibaraki 567-0047, Osaka, Japan.
Isobe H; Center for Quantum Information and Quantum Biology (QIQB), Osaka University, Toyonaka 560-0043, Osaka, Japan.
Shoji M; Research Institute for Interdisciplinary Science, Okayama University, Okayama 700-8530, Okayama, Japan.
Kawakami T; Center for Computational Sciences, University of Tsukuba, Tsukuba 305-8577, Ibaraki, Japan.
Miyagawa K; Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka 560-0043, Osaka, Japan.

Molecules ; 28(20)2023 Oct 16.

Article en En | MEDLINE | ID: mdl-37894598

Palabras clave

BS and beyond BS methods; CC); M=O; MOO; UNO X (X=CI; atomic oxygen; compound I and II; iron oxide; iron peroxide; isolobal and isospin; molecular oxygen; oxyl-radical

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2023 Tipo del documento: Article País de afiliación: Japón

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