The Laplacian of the electronic density
โ
Anibal Sierraalta; Fernando Ruette
๐
Article
๐
1996
๐
John Wiley and Sons
๐
English
โ 914 KB
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