Ab irzitio molecular orbital structures and energies of B2F4, B2C14, N204, and C20:-have been calculated for both perpendicular D2d and planar D2h rotamers. The experimental trend toward greater preference for the D2d forms in going from B2F4 to BzCl4 is reproduced. N204 favors the planar conformati
β¦ LIBER β¦
Atomic charges and charge fluxes in cis and trans-C2H2X2 (X=F, Cl): an ab initio study
β Scribed by M.N. Ramos; R. Fausto; J.J.C. Teixeira-Dias; C. Castiglioni; M. Gussoni; G. Zerbi
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 515 KB
- Volume
- 248
- Category
- Article
- ISSN
- 0022-2860
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