Chemically intuitive indices for charge‐transfer excitation based on SAC‐CI and TD‐DFT calculations期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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Chemically intuitive indices for charge‐transfer excitation based on SAC‐CI and TD‐DFT calculations

Authors:	Masahiro Ehara Ryoichi Fukuda Carlo Adamo Ilaria Ciofini

Institution:	1. Institute for Molecular Science and Research Center for Computational Science, , Myodaiji, Okazaki, 444‐8585 Japan;2. Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University Katsura, , Kyoto, 615‐8520 Japan;3. LECIME, Laboratoire d'Electrochimie, Chimie des Interfaces et Modélisation pour l′Energie, UMR 7575 CNRS, Ecole Nationale Supérieure de Chimie de Paris–Chimie ParisTech, , Paris Cedex 05, 75231 France;4. Institut Universitaire de France, , Paris, F‐75005 France

Abstract:

Keywords:	charge‐transfer excited states electron correlation solvent effect electron density