Investigating the Photodynamics of trans-Azobenzene with Coupled Trajectories.
Sign Up to like & getrecommendations! Published in 2024 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.3c00978
Abstract: In this work, we present the first implementation of coupled-trajectory Tully surface hopping (CT-TSH) suitable for applications to molecular systems. We combine CT-TSH with the semiempirical floating occupation molecular orbital-configuration interaction electronic structure method to… read more here.
Keywords: trans azobenzene; investigating photodynamics; azobenzene coupled; photodynamics trans ... See more keywords