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On bond-critical points in QTAIM and weak interactions

Authors:	Christian?R.?Wick,Timothy?Clark author-information" > author-information__contact u-icon-before" > mailto:Tim.Clark@fau.de" title=" Tim.Clark@fau.de" itemprop=" email" data-track=" click" data-track-action=" Email author" data-track-label=" " >Email author author-information__orcid u-icon-before icon--orcid u-icon-no-repeat" > http://orcid.org/---" itemprop=" url" title=" View OrcID profile" target=" _blank" rel=" noopener" data-track=" click" data-track-action=" OrcID" data-track-label=" " >View author&# s OrcID profile

Affiliation:	1.Institute for Theoretical Physics I, PULS Group,Friedrich-Alexander-University Erlangen-Nuernberg,Erlangen,Germany;2.Computer-Chemistry Center, Department of Chemistry and Pharmacy,Friedrich-Alexander-University Erlangen-Nuernberg,Erlangen,Germany

Abstract:	Bond critical points (BCPs) in the quantum theory of atoms in molecules (QTAIM) are shown to be a consequence of the molecular topology, symmetry, and the Poincaré-Hopf relationship, which defines the numbers of critical points of different types in a scalar field. BCPs can be induced by a polarizing field or by addition of a single non-bonded atom to a molecule. BCPs and their associated bond paths are therefore suggested not to be a suitable means of identifying chemical bonds, or even attractive intermolecular interactions. Open image in new window Graphical abstract Bond-critical points in QTAIM and weak interactions?

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