Correction to: Journal of Molecular Modeling (2022) 28: 274
We are sorry that in our recent publication “The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods” (Journal of Molecular Modeling (2022) 28: 274), “graphane” is misspelled as “graphene” in multiple places due to the autocorrection function of MS-WORD. We would like to make a following erratum:
Page 1, in Abstract: last sentence “in alkane dimers and graphene sheets” should be “in alkane dimers and graphane sheets.”
Page 12, the following paragraph
“Valence bond studies of C-H∙∙∙H-C interactions in graphene sheets
To elucidate the “dispersion” interaction in larger molecules, we studied the binding mechanisms in sheets of graphenes. As shown in Scheme 6, graphene is a sheet of fused cyclohexanes that derives by saturating graphene. Thus, two graphene sheets interact via the already familiar C-H∙∙∙H-C dispersion interactions. 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:
“Valence bond studies of C-H∙∙∙H-C interactions in graphene sheets
To elucidate the “dispersion” interaction in larger molecules, we studied the binding mechanisms in sheets of graphanes. As shown in Scheme 6, graphane is a sheet of fused cyclohexanes that derives by saturating graphene. Thus, two graphane sheets interact via the already familiar C-H∙∙∙H-C dispersion interactions. Since there are many such interactions, the total interaction energy is large, and reaching more than 50 kcal mol − 1 for [73] graphane [127].”
Also note that [73] above does not refer to a reference but the size of graphane. In the same page, “Scheme 6. Two sheets of graphenes interacting via C-H∙∙∙H-C interactions” should be “Scheme 6. Two sheets of graphanes interacting via C-H∙∙∙H-C interactions.”
Page 13, all three “graphene” should be “graphane.” Again, [73] does not refer to a reference but the size of graphene.
The original article has been corrected.
Author information
Authors and Affiliations
Corresponding authors
Additional information
Publisher's note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
About this article
Cite this article
Mo, Y., Danovich, D. & Shaik, S. Correction to: The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods. J Mol Model 28, 331 (2022). https://doi.org/10.1007/s00894-022-05330-5
Published:
DOI: https://doi.org/10.1007/s00894-022-05330-5