 |
 |
 |
|
|
|
||||||||||
 |
||
| University of
Florida 2001. All right reserved |
||
Constitutional Topological Geometrical Electrostatic CPSA Quantum-chemical MO-related Thermodynamic
Zefirov's empirical atomic partial charges Definition:
i – atomic electronegativities
- electronegativities of isolated atoms
n – atoms in the first coordination sphere of a given atom
References:
- N. S. Zefirov, M. A. Kirpichenok, F. F. Izmailov, M. I. Trofimov., Dokl. Akad. Nauk SSSR, 1987, 296, 883.
- M. A. Kirpichenok, N. S. Zefirov, Zh. Org. Khim., 1987, 23, 4 .
University of Florida 2001.
All right reserved