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- Title
Correction to: The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods.
- Authors
Mo, Yirong; Danovich, David; Shaik, Sason
- Abstract
Since there are many such interactions, the total interaction energy is large, and reaching more than 50 kcal mol - 1 for [73] graphene [127]." should be: " B Valence bond studies of C-H•••H-C interactions in graphene sheets b To elucidate the "dispersion" interaction in larger molecules, we studied the binding mechanisms in sheets of graphanes. Since there are many such interactions, the total interaction energy is large, and reaching more than 50 kcal mol - 1 for [73] graphane [127].".
- Subjects
VALENCE bonds; CHARGE transfer
- Publication
Journal of Molecular Modeling, 2022, Vol 28, Issue 10, p1
- ISSN
1610-2940
- Publication type
Correction Notice
- DOI
10.1007/s00894-022-05330-5