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Coming to Grips with N−H···N Bonds. 1. Distance Relationships and Electron Density at the Bond Critical Point

✍ Scribed by Knop, Osvald; Rankin, Kathryn N.; Boyd, Russell J.


Book ID
111878217
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
153 KB
Volume
105
Category
Article
ISSN
1089-5639

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Bond length and the electron density at
✍ Norberto Castillo; Katherine N. Robertson; S. C. Choi; Russell J. Boyd; Osvald K 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 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 XX and ZZ and heteronuclear CZ 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(