Photochemistry, chemiluminescence and dark photochemistry: computational advances (2018–2019) Check Access
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Published:09 Nov 2020
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Special Collection: 2020 ebook collectionSPR: SPR - Photochemistry
D. Roca-Sanjuán, J. Carmona-García, B. Ding, M. Navarrete-Miguel, A. Francés-Monerris, A. Giussani, ... Y. Liu, in Photochemistry: Volume 48, ed. S. Protti and C. Raviola, The Royal Society of Chemistry, 2020, vol. 48, pp. 24-70.
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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.