Distinguishing and quantifying the torquoselectivity in competitive ring-opening reactions using the stress tensor and QTAIM

Distinguishing and quantifying the torquoselectivity in competitive ring-opening reactions using the stress tensor and QTAIM

© 2016 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 37(2016), 31 vom: 05. Dez., Seite 2722-2733
Auteur principal: Guo, Huan (Auteur)
Autres auteurs: Morales-Bayuelo, Alejandro, Xu, Tianlv, Momen, Roya, Wang, Lingling, Yang, Ping, Kirk, Steven R, Jenkins, Samantha
Format: Article en ligne
Langue:English
Publié: 2016
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't 1-cyano-1-methylcyclobutene 3-fluoromethylcyclobutene competitive reaction quantum theory of atoms in molecules ring-opening stress tensor
Accès en ligne Volltext