Atomic dipole moments, derived within the Hirshfeld partitioning of the molecular electron density, have been studied for compounds of the type H-X and Cl-X, for a series of functional groups X frequently encountered in organic molecules. In the case of the H-X compounds, the component of the atomic
Density functional calculation of the electronegativity and other related properties of atoms and ions of the principal groups of the periodic table
β Scribed by Balbas, L. C. ;Vega, L. A. ;Alonso, J. A.
- Publisher
- Springer
- Year
- 1984
- Tongue
- English
- Weight
- 561 KB
- Volume
- 319
- Category
- Article
- ISSN
- 1434-601X
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