Art

J-GLOBAL ID：202002263099256877   Reference number：20A0472308

Pseudo-Jahn-Teller effect on the lowest triplet state of para-benzoquinone involving inequivalent carbonyl bonds

非等価カルボニル結合を含むパラ-ベンゾキノンの最低三重項状態に対する擬Jahn-Teller効果【JST・京大機械翻訳】

Author (4)： Nakatani Kaho (Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Kyoto-Daigaku-Katsura, Nishikyo-ku, Kyoto 615-8510, Japan) ,  Sato Hirofumi (Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Kyoto-Daigaku-Katsura, Nishikyo-ku, Kyoto 615-8510, Japan) ,  Fukuda Ryoichi (Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Kyoto-Daigaku-Katsura, Nishikyo-ku, Kyoto 615-8510, Japan) ,  Fukuda Ryoichi (Center for the Promotion of Interdisciplinary Education and Research, Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo-Ohara, Nishikyo-ku, Kyoto 615-8245, Japan)
Material： Chemical Physics Letters  (Chem Phys Lett)
Volume： 741  Page： Null  Publication year： 2020 
JST Material Number： B0824A  ISSN： 0009-2614  Document type： Article
Article type： 原著論文  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Abstract/Point： Various experiments have sugge...

Register(free) or Log In to access     To see more with JDream III (charged).   {{ this.onShowAbsJLink("http://jdream3.com/lp/jglobal/index.html?docNo=20A0472308&from=J-GLOBAL&jstjournalNo=B0824A") }}

Thesaurus term： vibronic interaction ,  *carbonyl group ,  electronic state ,  electronic transition ,  symmetry ,  cluster ,  mixed valence
Semi thesaurus term： 量子化学計算 , 【Automatic Indexing@JST】

Author keywords (5)： SAC-CI ,  Coupled-cluster ,  Pseudo-Jahn-Teller effect ,  Mixed-valence state ,  Benzoquinone

JST classification (2)： Electronic structure of molecules  (BH05010Q) ,  Gevmetry of molecules in general  (BH05021S)

Terms in the title (4)： カルボニル ,  パラ-ベンゾキノン ,  三重項状態 ,  Jahn-Teller効果