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Electronegativity and the Bond Triangle

✍ Scribed by Meek, Terry L.; Garner, Leah D.


Book ID
120181887
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
191 KB
Volume
82
Category
Article
ISSN
0021-9584

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πŸ“œ SIMILAR VOLUMES


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## Abstract The electronegativities () of some 36 atoms/groups (including some 6 ionic ones) __X__ are calculated from the atomic charges in the corresponding methyl species CH~3~__X__ that were obtained by applying Bader's theory of atoms in molecules. The numerical values of the for the various

Optimized and parallelized implementatio
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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 so‐called β€œequalization methods” EEM and ABEEM, which are based on DFT. We have implemented and optimized the EEM and