On the Potential Energy Surface of the Pyrene Dimer.

Pyrenes / chemistry Dimerization Thermodynamics Models, Molecular
CCSD(T) DLPNO intermolecular interactions potential energy surfaces pyrene dimer

Journal

International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791

Informations de publication

Date de publication:
06 Oct 2024
Historique:
received: 18 09 2024
revised: 02 10 2024
accepted: 04 10 2024
medline: 16 10 2024
pubmed: 16 10 2024
entrez: 16 10 2024
Statut: epublish

Résumé

Knowledge of reliable geometries and associated intermolecular interaction energy (Δ

Identifiants

DOI: 10.3390/ijms251910762 PMID: 39409090
pubmed: 39409090
pii: ijms251910762
doi: 10.3390/ijms251910762
pii:
doi:

Substances chimiques

Pyrenes 0
pyrene 9E0T7WFW93

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Subventions

Organisme : The Czech Science Foundation
ID : 24-15057L

Auteurs

Jiří Czernek (J)

Institute of Macromolecular Chemistry, Czech Academy of Sciences, Heyrovsky Square 2, 162 00 Prague, Czech Republic.

Jiří Brus (J)

Institute of Macromolecular Chemistry, Czech Academy of Sciences, Heyrovsky Square 2, 162 00 Prague, Czech Republic.
ORCID: 0000-0003-2692-612X

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Classifications MeSH

questionsmedicales.fr › Composés polycycliques › Hydrocarbures aromatiques polycycliques › Pyrènes › On the Potential Energy Surface of the Pyrene Dimer.
questionsmedicales.fr › Métabolisme › Dimérisation › On the Potential Energy Surface of the Pyrene Dimer.
questionsmedicales.fr › Phénomènes physiques › Thermodynamique › On the Potential Energy Surface of the Pyrene Dimer.
questionsmedicales.fr › Techniques d'investigation › Modèles théoriques › Modèles moléculaires › On the Potential Energy Surface of the Pyrene Dimer.