Wick C, Clark T (2018)
Publication Status: Published
Publication Type: Journal article
Publication year: 2018
Publisher: SPRINGER
Book Volume: 24
Journal Issue: 6
DOI: 10.1007/s00894-018-3684-x
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 Poincar,-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.
APA:
Wick, C., & Clark, T. (2018). On bond-critical points in QTAIM and weak interactions. Journal of Molecular Modeling, 24(6). https://dx.doi.org/10.1007/s00894-018-3684-x
MLA:
Wick, Christian, and Timothy Clark. "On bond-critical points in QTAIM and weak interactions." Journal of Molecular Modeling 24.6 (2018).
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