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

Total electrostatic interaction energy between two given atomic species

Definition:

A given atomic species

B another atomic species

Eee(AB)- electronic repulsion energy between two atomic species

Ene(AB)- electron-nuclear attraction energy between two atomic species

Enn(AB)- nuclear repulsion energy between two atomic species

Reference:

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

 

 
   
 
   
University of Florida 2001.
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