Insights into the Complex Photophysics and Photochemistry of the Simplest Nitroaromatic Compound: A CASPT2//CASSCF Study on Nitrobenzene

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Authors: Angelo Giussani, Graham A. Worth

Journal title: Journal of Chemical Theory and Computation

Journal number: 13/6

Journal publisher: American Chemical Society

Published year: 2017

Published pages: 2777-2788

DOI identifier: 10.1021/acs.jctc.6b01149

ISSN: 1549-9618