Bay-type H···H “bonding” in cis-2-butene and related species: QTAIM versus NBO description
Author:
Affiliation:
1. Department of Chemistry; Theoretical Chemistry Institute, University of Wisconsin; Madison Wisconsin 53706
2. Department of Chemistry; University of Georgia; Athens Georgia 30602
Funder
National Science Foundation
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23654/fullpdf
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2. Topological Analysis of Electron Densities: Is the Presence of an Atomic Interaction Line in an Equilibrium Geometry a Sufficient Condition for the Existence of a Chemical Bond?
3. Molecular Recognition in Organic Crystals: Directed Intermolecular Bonds or Nonlocalized Bonding?
4. A Model of the Chemical Bond Must Be Rooted in Quantum Mechanics, Provide Insight, and Possess Predictive Power
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