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

Topological electronic indices

Definition:

qi- partial charge on the i-th atom

rij - distance between i-th and j-th atoms

NSA - number of non-hydrogen atom in the molecule

Nb - number of bonds between non-hydrogen atom in the molecule

Reference:

  1. K. Osmialowski, J. Halkiewicz, R. Kaliszan, J. Chromatogr., 1986, 63, 361.
 
   
 
   
University of Florida 2001.
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