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.
2019
XXI International Conference on Ultrafast Phenomena 2018 (UP 2018)
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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].
Teles-Ferreira, Danielle Cristina; Borrego-Varillas, Rocio; Ganzer, Lucia; Nogueira Faria, Barbara Elza; Manzoni, Cristian; De Silvestri, Sandro; Nenov, Artur; Conti, Irene; Garavelli, Marco; Cerullo, Giulio; de Paula, Ana Maria
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/735876
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