Computational Photochemistry and Photophysics: the state of the art
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Published:11 Oct 2012
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SPR: SPR - Photochemistry
Y. Liu, D. Roca-Sanjuán, and R. Lindh, in Photochemistry, ed. A. Albini and E. Fasani, The Royal Society of Chemistry, 2012, vol. 40, pp. 42-72.
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This review starts with the most basic concepts in photochemistry and photophysics, followed by a chronological introduction of theoretical methods and relevant applications in the history of computational photochemistry, along with the authors’ comments on the methodologies currently available for photochemical studies. Recent advances in the field are next summarized and discussed, focusing separately on methodology and computational techniques and some highlighted applied works carried out during the last two years on the topics of photodissociations, photostability, photodimerizations, photoisomerizations, proton/hydrogen transfer, photodecarboxylations, charge transport, bioexcimers, chemiluminescence and bioluminescence. We finish this review by conclusions and an outlook of the future.