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Semi-empirical all valence electrons SCF-MO-CNDO theory

✍ Scribed by J. M. Sichel; M. A. Whitehead

Publisher
Springer
Year
1968
Tongue
English
Weight
399 KB
Volume
11
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

HAM/3, a semi-empirical MO theory. I. Th
HAM/3, a semi-empirical MO theory. I. The SCF method
✍ L. Γ…sbrink; C. Fridh; E. Lindholm πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 644 KB

An MO SW theory for molecules hd~ been dcvclopcd startmg from Slatcr's study of atonlac 4liclding constants USC of shielding "constants" which are frlrzctions of the nature of the shielded electron glvcs good total cncrgics for a number of atomic species. The good :isecment must mean negligible erro