Subject: some help...

From: "sweta nigam" <[email-masked]>
Date: Wed, 9 Oct 2002 17:46:50 +0530

hello 

   i would like to know whether we can use the partial atomic charges assigned by j.gasteiger and m.marshil to calculate molecular orbital energies...i mean how effective this could be?
is there any formula that relates atomic charges to MO energy?hope u can help me out......

Thanks n Regards
Sweta 
TCS