Electronegativity and the Bond Triangle
β 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
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## 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
## 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 soβcalled βequalization methodsβ EEM and ABEEM, which are based on DFT. We have implemented and optimized the EEM and