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Optimization of atomic orbital charges by least squares representation of the molecular charge distribution

โœ Scribed by Frank P. Billingsley II; Carl Trindle


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
465 KB
Volume
5
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES


Cumulative atomic multipole representati
โœ W.Andrzej Sokalski; R.A. Poirier ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 610 KB

A sunplc procedure to decompose the theoretical molecular charge distribution into cumulative atomic multipoles supplementirg .my population analysis scheme has been described and tested for a number of molecules in extended basis sets. TIIIS ~pprodch ma!, bc applied to describe local charge distrib