Simulating non-adiabatic dynamics of photoexcited phenyl azide: Investigating electronic and structural relaxation en route to the formation of phenyl nitrene

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Authors: Sambit K. Das, Michael Odelius, and Ambar Banerjee

Journal title: Chem. Eur. J.

Journal publisher: Wiley-VCH GmbH

Published year: 2023

Published pages: e202302178

DOI identifier: 10.1002/chem.202302178

ISSN: 1521-3765