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
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

Auteurs

David Danovich (D)

Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 9190401, Israel.

Alexandre Tkatchenko (A)

Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.

Santiago Alvarez (S)

Inorganic Chemistry Department, Facultat de Química, Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Spain.

Sason Shaik (S)

Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 9190401, Israel.

Classifications MeSH