4-thiouracil (4TU) is studied by transient absorption spectroscopy employing sub-20 fs UV-pulses and hybrid QM(CASPT2) / MM(AMBER) computations (static and dynamic), evidencing that, along the photoexcited relaxation pathway, intersystem crossing originates from a dark intermediate state.
Teles-Ferreira, D.C., Borrego-Varillas, R., Ganzer, L., Nogueira Faria, B.E., Manzoni, C., De Silvestri, S., et al. (2019). Intersystem crossing in thiobases proceeds by a dark intermediate state [10.1051/epjconf/201920510005].
Intersystem crossing in thiobases proceeds by a dark intermediate state
Nenov, Artur;Conti, Irene;Garavelli, Marco
;
2019
Abstract
4-thiouracil (4TU) is studied by transient absorption spectroscopy employing sub-20 fs UV-pulses and hybrid QM(CASPT2) / MM(AMBER) computations (static and dynamic), evidencing that, along the photoexcited relaxation pathway, intersystem crossing originates from a dark intermediate state.File in questo prodotto:
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