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Geometrical
Electrostatic
CPSA
Quantum-chemical
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Maximum 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. J. S. Murray, P. Lane, T. Brinck, P. Politzer, J. Phys. Chem., 1990, 94, 844.

 

 
   
 
   
University of Florida 2001.
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