TY - JOUR
T1 - Correction to
T2 - 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, 9, (274), 10.1007/s00894-022-05187-8)
AU - Mo, Yirong
AU - Danovich, David
AU - Shaik, Sason
N1 - Publisher Copyright:
© The Author(s) 2022.
PY - 2022/10
Y1 - 2022/10
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85138459480&partnerID=8YFLogxK
U2 - 10.1007/s00894-022-05330-5
DO - 10.1007/s00894-022-05330-5
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C2 - 36151485
AN - SCOPUS:85138459480
SN - 1610-2940
VL - 28
JO - Journal of Molecular Modeling
JF - Journal of Molecular Modeling
IS - 10
M1 - 331
ER -