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

Electron kinetic energy density

Definition:

N - number of electrons in the molecule

Y - electronic wave function of the molecule

Reference:

  1. C. M. Breneman, M. Martinov, in: Molecular Electrostatic Potentials: Concepts and Applications, Theoretical and Computational Chemistry, Volume 3, J. S. Murray, K. Sen (Eds.), Elsevier Science B.V., Amsterdam, 1996.

 

 
   
 
   
University of Florida 2001.
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