A Gravitational-like Relationship of Dispersion Interactions is Exhibited by 40 Pairs of Molecules and Noble Gas Atoms.
Journal
Journal of the American Chemical Society
ISSN: 1520-5126
Titre abrégé: J Am Chem Soc
Pays: United States
ID NLM: 7503056
Informations de publication
Date de publication:
31 Oct 2024
31 Oct 2024
Historique:
medline:
1
11
2024
pubmed:
1
11
2024
entrez:
31
10
2024
Statut:
aheadofprint
Résumé
We present computational results of many-body dispersion (MBD) interactions for 40 pairs of molecular and atomic species: hydrocarbons, silanes, corresponding fluorinated derivatives, pairs which have multiple H---H contacts between the molecules, as well as pairs having π-π interactions, and pairs of noble gases. The calculations reveal that the MBD stabilization energy (
Identifiants
pubmed: 39481085
doi: 10.1021/jacs.4c11211
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM