Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution
Segalina, Alekos, Cerezo, Javier, Prampolini, Giacomo, Santoro, Fabrizio, Pastore, MariachiaraJournal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00919
Date:
October, 2020
File:
PDF, 10.10 MB
2020