化学发光
激发态
光化学
量子化学
化学
物理
原子物理学
分子
有机化学
超分子化学
作者
Daniel Roca‐Sanjuán,Javier Carmona‐García,Bowen Ding,Miriam Navarrete‐Miguel,Antonio Francés‐Monerris,Angelo Giussani,Javier Segarra‐Martí,Antonio Monari,Y.-J. Liu
出处
期刊:Photochemistry
日期:2020-01-01
卷期号:: 24-70
标识
DOI:10.1039/9781839162114-00024
摘要
Recent progress (2018–2019) in the field of quantum chemistry applied to the excited electronic state are presented in this book chapter. General developments of methods and theory are described first, followed by applications organised in three main topics, (i) photo-induced chemistry (photochemistry), (ii) chemically induced light emission (chemiluminescence) and (iii) chemically induced excited-state chemistry (dark photochemistry). We shall highlight in this occasion developments of machine learning, GPU and quantum computing algorithms for excited states, non-adiabatic new methodological approaches, sunlight chemistry of atmospheric mercury compounds, boranes and stilbenoids photochemistry, DNA spectroscopy and excited-state chemistry, the bio/chemiluminescence mechanism of luminol and distinct luciferin-luciferase complexes and retinal activation in the dark.
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