Unveiling the photophysics of thiourea from CASPT2/CASSCF potential energy surfaces and singlet/triplet excited state molecular dynamics simulations
Aguilera Porta, Neus, Granucci, Giovanni, Munoz-Muriedas, Jordi, Corral, InésJournal:
Computational and Theoretical Chemistry
DOI:
10.1016/j.comptc.2019.01.026
Date:
January, 2019
File:
PDF, 2.35 MB
2019