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Comparison of models to correlate electron density at the bond critical point and bond distance

✍ Scribed by I. Alkorta; L. Barrios; I. Rozas; J. Elguero

Book ID
114143730
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
101 KB
Volume
496
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

Bond length and the electron density at
Bond length and the electron density at the bond critical point: XX, ZZ, and CZ bonds (X = Li-F, Z = Na-Cl)
✍ Norberto Castillo; Katherine N. Robertson; S. C. Choi; Russell J. Boyd; Osvald K πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 211 KB

## Abstract The aim was to investigate the relationship between the bond length and the electron density at the bond critical point in homonuclear Xο£ΏX and Zο£ΏZ and heteronuclear Cο£ΏZ bonds (X = Li‐F, Z = Na‐Cl). The __d__,ρ~c~ pairs were obtained from 472 target bonds in DFT‐optimized (B3LYP/6‐311+G(