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QTAIM and the Interactive Conception of Chemical Bonding

Esser, Stephen (2018) QTAIM and the Interactive Conception of Chemical Bonding. In: UNSPECIFIED.

QTAIM and the Interactive Conception of Chemical Bonding.pdf

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Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily reconciled with quantum mechanical models of molecular systems. The quantum theory of atoms in molecules (QTAIM), developed by Richard F.W. Bader and colleagues, seeks to define bonding using a topological analysis of the electron density distribution. The “bond paths” identified by the analysis are posited as indicators of a special pairwise physical relationship between atoms. While elements of the theory remain subject to debate, I argue that QTAIM embodies a distinctive interactive conception of bonding that is an attractive alternative to others previously discussed.

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Item Type: Conference or Workshop Item (UNSPECIFIED)
Subjects: Specific Sciences > Chemistry
Depositing User: Mr. Stephen Esser
Date Deposited: 11 Nov 2018 14:57
Last Modified: 11 Nov 2018 14:57
Item ID: 15289
Subjects: Specific Sciences > Chemistry
Date: 10 November 2018

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