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Minimum (most negative) and maximum (most positive) atomic partial charges

Definition:

Qmin =min (Q -)

Qmax=max (Q+)

Q -- negative atomic partial charges

Q+ - positive atomic partial charges

Reference:

  1. I. G. Csizmadia, Theory and Practice of MO Calculations on Organic Molecules, Elsevier, Amsterdam, 1976.

 
   
 
   
University of Florida 2001.
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