Constitutional
Topological
Geometrical
Electrostatic
CPSA
Quantum-chemical
MO-related
Thermodynamic
 

Total molecular one-center electron-electron repulsion energy

Definition:

A - given atomic species

Eee(A) -  electron-electron repulsion energy for atom A

Reference:

  1. E. Clementi, Computational Aspects of Large Chemical Systems, Springer Verlag, New York, 1980.

 

 
   
 
   
University of Florida 2001.
All rights reserved