Improving the optical properties of [5] circulene with different electron donors and acceptor substitutions (push-pull system)

In this research, the circulene molecule was selected, and the electron donor and acceptor groups were attached to improve its optical properties. Large negative values of enthalpies, Gibbs free energies, and exothermic energies of formation for these molecules, especially for the CN-CIR-NHLi molecu...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of molecular modeling 2020-12, Vol.26 (12), p.348-348, Article 348
Hauptverfasser:	Hamidi, Abbas, Shamlouei, Hamid Reza, Maleki, Afsaneh, Mombeini Goodajdar, Bijan
Format:	Artikel
Sprache:	eng
Schlagworte:	Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Computer Appl. in Life Sciences Computer Applications in Chemistry Molecular Medicine Original Paper Theoretical and Computational Chemistry
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!