Frontispiece: Why Bond Critical Points Are Not “Bond” Critical Points

Frontispiece: Why Bond Critical Points Are Not “Bond” Critical Points

Instead of (3,−1) critical points of the one‐electron density, the electron delocalization index and the domain‐averaged exchange‐correlation energy may be used to trace and gauge the strong/covalent bonds within the context of the quantum theory of atoms in molecules on page 5401 ff.

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Bibliographische Detailangaben
Veröffentlicht in:Chemistry : a European journal 2018-04, Vol.24 (21), p.n/a
1. Verfasser: Shahbazian, Shant
Format: Artikel
Sprache:eng
Schlagworte:
bond theory
Bonding strength
Chemical bonds
Chemistry
Covalent bonds
Electron density
history of science
Quantum theory
quantum theory of atoms in molecules
topological analysis
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Beschreibung
Zusammenfassung:Instead of (3,−1) critical points of the one‐electron density, the electron delocalization index and the domain‐averaged exchange‐correlation energy may be used to trace and gauge the strong/covalent bonds within the context of the quantum theory of atoms in molecules on page 5401 ff.
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.201882161