Decoding energy decomposition analysis Machine-learned Insights on the impact of the density functional on the bonding analysis

Decoding energy decomposition analysis : Machine-learned Insights on the impact of the density functional on the bonding analysis

© 2023 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 45(2024), 7 vom: 15. März, Seite 368-376
Auteur principal: Oestereich, Toni (Auteur)
Autres auteurs: Tonner-Zech, Ralf, Westermayr, Julia
Format: Article en ligne
Langue:English
Publié: 2024
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article chemical bonding density functional theory energy decomposition analysis feature importance analysis machine learning
Accès en ligne Volltext