๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A comparative study of different all-valence-electrons calculations on biological purines and pyrimidines

โœ Scribed by Alberte Pullman


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
630 KB
Volume
2
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES


The Laplacian of the electronic density
โœ Anibal Sierraalta; Fernando Ruette ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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