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Extension of the GCVOL Method and Application to Some Complex Compounds

✍ Scribed by Tsibanogiannis, Ioannis N.; Kalospiros, Nikolaos S.; Tassios, Dimitrios P.

Book ID
126100685
Publisher
American Chemical Society
Year
1994
Tongue
English
Weight
327 KB
Volume
33
Category
Article
ISSN
0888-5885

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πŸ“œ SIMILAR VOLUMES

Application of various population method
Application of various population methods to some oxygenated compounds
✍ Steven M. Bachrach; Andrew Streitwieser πŸ“‚ Article πŸ“… 1989 πŸ› John Wiley and Sons 🌐 English βš– 646 KB

The charge on oxygen for a series of compounds was obtained using Mulliken population, natural population analysis (NPA), integrated projected electron population (IPP) analysis, and Bader's topological density analysis, "integrated Bader populations" (IBP). The orbital-based methods (Mulliken and N