Time-dependent density functional theory study on direction-dependent electron and hole transfer processes in molecular systems

© 2017 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 38(2017), 10 vom: 15. Apr., Seite 698-703
Auteur principal: Partovi-Azar, Pouya (Auteur)
Autres auteurs: Kaghazchi, Payam
Format: Article en ligne
Langue:English
Publié: 2017
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't ab initio molecular dynamics charge transfer processes maximally localized Wannier functions molecular systems time-dependent density functional theory vibrational analysis