Improving the Description of the Optical Properties of Carotenoids by Tuning the Long-Range Corrected Functionals

In this work we use gap-fitting procedure to tune the long-range corrected functionals and accurately investigate the electronic and optical properties of the five main molecules composing Buriti oil (extracted from Mauritia flexuosa L.) in the framework of density functional theory (DFT) and time-d...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (27), p.4944-4950
Hauptverfasser:	Lima, Igo T, Prado, Andriele da S, Martins, João B. L, de Oliveira Neto, Pedro Henrique, Ceschin, Artemis M, da Cunha, Wiliam F, da Silva Filho, Demétrio A
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!