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Evaluation of net atomic charges and atomic and molecular electrostatic moments through topological analysis of the experimental charge density.
- Source :
- Acta Crystallographica: Section A (Wiley-Blackwell); May2000, Vol. 56 Issue 3, p252, 7p
- Publication Year :
- 2000
-
Abstract
- Describes the evaluation of net atomic charges and atomic and molecular electrostatic moments through topological analysis of the experimental charge density. Large differences found between charges derived from the monopole parameters and those from atoms in molecules analysis of the experimental model density.
- Subjects :
- ATOMS
ELECTROSTATICS
TOPOLOGICAL dynamics
Subjects
Details
- Language :
- English
- ISSN :
- 01087673
- Volume :
- 56
- Issue :
- 3
- Database :
- Complementary Index
- Journal :
- Acta Crystallographica: Section A (Wiley-Blackwell)
- Publication Type :
- Academic Journal
- Accession number :
- 9111055
- Full Text :
- https://doi.org/10.1107/S0108767300001628