Theoretical study of N–H· · ·O hydrogen bonding properties and cooperativity effects in linear acetamide clusters
✍ Scribed by Mehdi D. Esrafili; Hadi Behzadi; Nasser L. Hadipour
- Publisher
- Springer
- Year
- 2008
- Tongue
- English
- Weight
- 319 KB
- Volume
- 121
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract According to the density functional theory calculations, the X···H···N (XN, O) intramolecular bifurcated (three‐centered) hydrogen bond with one hydrogen donor and two hydrogen acceptors causes a significant decrease of the ^1h^__J__(N,H) and ^2h^__J__(N,N) coupling constants across th
## Abstract ^13^C chemical shieldings and ^14^N and ^2^H electric field gradient (EFG) tensors of L‐alanylglycine (L‐alagly) dipeptide were calculated at RHF/6–31 + + G\*\* and B3LYP/6–31 + + G\*\* levels of theory respectively. For these calculations a crystal structure of this dipeptide obtained