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Electron flow and electronegativity equalization in the process of bond formation

โœ Scribed by Cioslowski, Jerzy; Stefanov, Boris B.

Book ID
121791867
Publisher
American Institute of Physics
Year
1993
Tongue
English
Weight
968 KB
Volume
99
Category
Article
ISSN
0021-9606

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## Abstract The most common way to calculate charge distribution in a molecule is __ab initio__ quantum mechanics (QM). Some faster alternatives to QM have also been developed, the soโ€called โ€œequalization methodsโ€ EEM and ABEEM, which are based on DFT. We have implemented and optimized the EEM and