Inverse bond length/bond angle relationships Part 5. An ab initio study of molecules with multiple bonds
β Scribed by Vladimir S. Mastryukov; James E. Boggs
- Book ID
- 107807125
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 453 KB
- Volume
- 300
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The additivity of the effect of hydrogen bonding has been studied by ab initio calculations for two 1:2 formamide-water complexes, one where the formamide molecule is both a donor and acceptor (DON) and one where the two water molecules are bonded to the carbonyl oxygen (Doe). By comparison with the
## Abstract The Oο£ΏH bond length and the quadratic, cubic, and quartic stretching force constants, calculated __ab initio__ using the unscaled 4β31G basis set with full geometry optimization, are reported for 30 planar conformers of ten molecules contaning either the Cο£ΏOH, Nο£ΏOH, or Oο£ΏOH group. The d