Rational design of near-infrared absorbing organic dyes : Controlling the HOMO-LUMO gap using quantitative molecular orbital theory

© 2018 The Authors. Journal of Computational Chemistry published by Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 39(2018), 32 vom: 15. Dez., Seite 2690-2696
Auteur principal: Narsaria, Ayush K (Auteur)
Autres auteurs: Poater, Jordi, Fonseca Guerra, Célia, Ehlers, Andreas W, Lammertsma, Koop, Bickelhaupt, F Matthias
Format: Article en ligne
Langue:English
Publié: 2018
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't NIR absorption charge-transfer excitations density functional calculations design rules donor-acceptor systems