Calculation of the bond length and stretching force constant of the C-H bond in cyclopropane and cyclobutane by the CNDO/2 method
β Scribed by B. Galabov; H. Morris
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 156 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0022-2860
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π SIMILAR VOLUMES
The C=O bond length and fc=o,c=o, the corresponding harmonic stretching force constant, are calculated ab initio using the 4-31G basis set (augmented by polarization functions on the sulfur and chlorine) with full geometry optimization for the monosubstituted carbonyl compounds RCHO, where R = H, CH
## 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