Calculation of dipole moments of heteroatom molecules
β Scribed by Lemont B. Kier
- Publisher
- Elsevier Science
- Year
- 1965
- Tongue
- French
- Weight
- 219 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0040-4039
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π SIMILAR VOLUMES
## Abstract We use a previously proposed variationβperturbation method to calculate the electric polarizabilities and the electric dipole moment at equilibrium nuclear distance of the BH molecule. We obtain 3.56 Γ 10^β24^ cm^3^ for the perpendicular polarizability Ξ±~__xx__~ and 3.22 Γ 10^β24^ cm^3^
Dipole moments of furan, pyrrole, pyridine, pyrimidind and pyridazine have been calculated by the CNDO/II approximate SCF molecular orbital method, with experimental or assumed molecular geometry. The absolute vsiues are in good agreement with experimental data.