g-Hartree ab-initio calculation of hyperfine-constants for atoms
โ Scribed by T. Millack
- Book ID
- 118289817
- Publisher
- Springer
- Year
- 1988
- Tongue
- English
- Weight
- 681 KB
- Volume
- 8
- Category
- Article
- ISSN
- 1434-6060
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๐ SIMILAR VOLUMES
Ab iw?ioUIIF calculations using a minimal basis set of orbitals for the radicals H.-,S, H9S', NHzi, =+, cn3and NH7 predict the h)Terfine coupling constants to all nuclei with a consiCknt rr&urac-lf SCP ato6ic orbital: are used. Recently [l] it has been suggested that there is generally poor agreemen
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