An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2

© 2022 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 43(2022), 10 vom: 15. Apr., Seite 717-727
Auteur principal: Sorbelli, Diego (Auteur)
Autres auteurs: Belanzoni, Paola, Belpassi, Leonardo, Lee, Ji-Woong, Ciancaleoni, Gianluca
Format: Article en ligne
Langue:English
Publié: 2022
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't bond analysis carbon dioxide density functional theory energy decomposition analysis reaction mechanism Carbon Dioxide 142M471B3J