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

Minimum electrostatic potential at the molecular surface

Definition:

 

ZA - charge on atomic nucleus A at point RA 

p(r') - total electron density of the molecule

Reference:

  1. P. Politzer, J. S. Murray, Rev. Comput. Chem., 1991, 2.

 

 
   
 
   
University of Florida 2001.
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