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Electron descriptors such as bond order and electron density at the bond critical point are key quantities in establishing the characterization of chemical bonding. This paper analyzes a plethora of… Click to show full abstract
Electron descriptors such as bond order and electron density at the bond critical point are key quantities in establishing the characterization of chemical bonding. This paper analyzes a plethora of quantum chemistry data available in the literature to confirm exponential correlations between these electron descriptors and the interatomic distances for any type of chemical bond. This is particularly relevant for extending the crystal chemistry bond order conservation principle to systems with delocalized electrons.
Keywords:
bond;
quantum chemistry;
chemistry;
basic crystal;
chemistry data;
crystal chemistry
Journal Title: IUCrJ
Year Published: 2018
Link to full text (if available)
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Journal Title: IUCrJ
Year Published: 2018
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!