ORGLIST:some help...

Date view	Thread view	Subject view	Author view	Attachment view

From: sweta nigam (sweta_n$##$atc.tcs.co.in)
Date: Wed Oct 09 2002 - 08:14:13 EDT

Next message: Jon Kremsky: "RE: ORGLIST:deoxygenation"
Previous message: Jacobo Cruces: "ORGLIST:deoxygenation"

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

_______________________________________________
ORGLIST - Organic Chemistry Mailing List
Website / Archive / FAQ: http://www.orglist.net
To post a message (TO EVERYBODY) send to everybody$##$orglist.net
To unsubscribe, send to everybody-request$##$orglist.net the message: unsubscribe your_orglist_password your_address
List coordinator: Joao Aires de Sousa (coordinator$##$orglist.net)

Next message: Jon Kremsky: "RE: ORGLIST:deoxygenation"
Previous message: Jacobo Cruces: "ORGLIST:deoxygenation"

Date view	Thread view	Subject view	Author view	Attachment view

This archive was generated by hypermail 2.1.4 : Fri Sep 19 2003 - 12:16:54 EDT