Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol
Cerezo, Javier, Aranda, Daniel, Avila Ferrer, Francisco J., Prampolini, Giacomo, Mazzeo, Giuseppe, Longhi, Giovanna, Abbate, Sergio, Santoro, FabrizioLanguage:
english
Journal:
Chirality
DOI:
10.1002/chir.22853
Date:
April, 2018
File:
PDF, 1.20 MB
english, 2018