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

 

 

Local polarity of molecule

Definition:

 

A - molecular surface area

- average value of the electrostatic potential in the molecule

V (r) - electrostatic potential in the molecule

n number of integration points

Reference:

  1. T. Brinck, J. S. Murray, P. Politzer, Mol. Phys., 1992, 76, 609.

 

 
   
 
   
University of Florida 2001.
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