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Anab initioinvestigation of the geometry, bonding and coupling constants of BF2

✍ Scribed by Colin Thomson; Douglas A. Brotchie

Book ID
104792130
Publisher
Springer
Year
1973
Tongue
English
Weight
493 KB
Volume
32
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

The electronic structure and geometry of
The electronic structure and geometry of BF2 and NF2
✍ Colin Thomson; Douglas A. Brotchie πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 309 KB

Results 31e presented of ab initio 4cuIations on the BF, and NF, radicrrls. Geometry predictions for these species usirq different gaussian orbital basis sets are compared.

Ab initio calculation of equilibrium geo
Ab initio calculation of equilibrium geometry and hyperfine coupling constants of the cyclopentane cation
✍ M.B. Huang; S. Lunell; A. Lund πŸ“‚ Article πŸ“… 1983 πŸ› Elsevier Science 🌐 English βš– 439 KB

The equilibrium geometry and hyperfime coupling constants of the cyclopentane cation have been calculated by the UHF method, within the ab initio MO LCAO SCF approximation. A non-planar carbon framework of Cs symmetry was found with one carbon atom out of the &me of the others. The geometry and the