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

Total variance of the surface electrostatic potential

Definition:

 

- average value of the positive electrostatic potential in the molecule

- average value of the negative electrostatic potential in the molecule

V+(ri) - positive electrostatic potential in the molecule

V -(ri) - negative electrostatic potential in the molecule

m,n  - number of integration points

Reference:

  1. P. Politzer, P. Lane, J. S. Murray, T. Brinck, J. Phys. Chem., 1992, 96, 7938.

 

 
   
 
   
University of Florida 2001.
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