The dipole moment derivatives of gaseous benzene: A comparison of experimental and ab initio values
β Scribed by C. Dale Keefe
- Book ID
- 108088799
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 158 KB
- Volume
- 327
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Using a gaussian Lobe basis set nearly cquivalcnt to the double-zeta Sl;lter type orbital basis set, the principal force constants and rhe derivatives of the electric dipole moment are nIcuIated. The force constants are found to be in scltisktory agreement with csperimentol
## New experimental and theoretical results are presented for the Whenever approximations are made, for example, a finite NMR shielding of oxygen in the carbonyl group. The experimental basis set is used, magnetic properties may depend on the values clearly demonstrate that the solvent effects are