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

Free valence

Definition:

Vmax - maximum valence of atom A

PA - total electronic population on atom A

References:

  1. I.G. Csizmadia, Theory and Practice of MO Calculations on Organic Molecules, Elsevier, Amsterdam, 1976.
  2. A.B. Sanniraghi, Adv. Quant. Chem., 1992, 23, 301-351.

 

 
   
 
   
University of Florida 2001.
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