Ab initio electron-correlated calculations of the equilibrium geometries, dipole moments, and static dipole polarizabilities are reported for benzene and 12 heteroaromatic sixmembered rings obtained from it by aza-substitution. Our geometries and dipole moments agree well with available experimental
Polarizabilities of interacting polar molecules
β Scribed by A.D. Buckingham; P.A. Galwas; Liu Fan-Chen
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 557 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0022-2860
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