Unexpected reversal of stability in strained systems containing one-electron bonds.
Journal
Physical chemistry chemical physics : PCCP
ISSN: 1463-9084
Titre abrégé: Phys Chem Chem Phys
Pays: England
ID NLM: 100888160
Informations de publication
Date de publication:
07 Dec 2019
07 Dec 2019
Historique:
pubmed:
12
11
2019
medline:
12
11
2019
entrez:
12
11
2019
Statut:
ppublish
Résumé
Ring strain energy is a very well documented feature of neutral cycloalkanes, and influences their structural, thermochemical and reactivity properties. In this work, we apply density functional theory and high-level coupled cluster calculations to describe the geometry and relative stability of C
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM