Constitutional
Topological
Geometrical
Electrostatic
CPSA
Quantum-chemical
MO-related
Thermodynamic
Maximum electrostatic potential at the molecular surface
Definition:
Z
A
- charge on atomic nucleus
A
at point
R
A
p
(
r'
) - total electron density of the molecule
Reference:
J. S. Murray, P. Lane, T. Brinck, P. Politzer,
J. Phys. Chem.
,
1990,
94
, 844.
University of Florida 2001.
All right reserved