Estimates of the electron charge densities at the iodine nucleus in some compounds
β Scribed by E. Hartmann; Ch. Eifrig
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 470 KB
- Volume
- 58
- Category
- Article
- ISSN
- 0301-0104
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π SIMILAR VOLUMES
## Abstract The dependence of the nsβdensity at the nucleus, | Ο ~ns~ (0) | ^2^, on atomic number and charge is examined for the elements helium to radon. The validity of the widely used assumption of a constant valence sβdensity at the nucleus, as well as the statement that metalβphosphorus NMR. c
The effective core potential (ECP), using a basis set of different qualities, and ab initio full-electron (FE) calculations were carried out for MoS;', MOO,-', and MoOCl, molecules. The topology of -V$(rcp) (the negative Laplacian of the charge density at its critical points) in the atomic valence s