Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM

Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM

© 2022 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 43(2022), 24 vom: 15. Sept., Seite 1641-1655
Auteur principal: Avagliano, Davide (Auteur)
Autres auteurs: Bonfanti, Matteo, Nenov, Artur, Garavelli, Marco
Format: Article en ligne
Langue:English
Publié: 2022
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't QM/MM TD-DFT trajectory surface hopping transient absorption ultrafast spectroscopy
Accès en ligne Volltext