A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates : Merocyanine dyes as a case study

© 2021 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 42(2021), 15 vom: 05. Juni, Seite 1054-1063
Auteur principal: Tirri, Bernardino (Auteur)
Autres auteurs: Mazzone, Gloria, Ottochian, Alistar, Gomar, Jerôme, Raucci, Umberto, Adamo, Carlo, Ciofini, Ilaria
Format: Article en ligne
Langue:English
Publié: 2021
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't Monte Carlo sampling TD-DFT absorption spectra