Constitutional
Topological
Geometrical
Electrostatic
CPSA
Quantum-chemical
MO-related
Thermodynamic
Mulliken atomic partial charges
Definition:
Z
A
- atomic nuclear charge
P
kl
- atomic population matrix elements
Reference:
R. S. Mulliken,
J. Chem. Phys.
,
1955
23
, 1833-1840.
I. G. Csizmadia,
Theory and Practice of MO Calculations on Organic Molecules
, Elsevier, Amsterdam, 1976.
University of Florida 2001.
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