Subject: CCL-ZINDO Energy Units

From: "csg admin" <[email-masked]>
Date: 20 Mar 1997 18:40:17 -0800

Mail*Link® SMTP               CCL:ZINDO Energy Units

Dear Modelers,

Our group is interested in estimating the energy difference between singet and
triplet and also doublet and quartet states of metal complexes using CAChe
ZINDO.  Could somebody please tell me what the units of energy from Zindo are,
and how we can convert the energy differences into cm-1, or electron volts for
instance.  I will summarize any responses and post them to the list.

Thanks,  Jason

-- 

_______________________________________________________________________________

Jason Lye,                       |    
Dye Synthesis Research Group,    |    
College Of Textiles,  Box 8301,  |            "Lifes' cheap, but
North Carolina State University, |       the accessories will kill you!"
Raleigh, N.C. 27695 - 8301       |                   
                                 |      
      Ph:   (919) 515-6615       |                     
      [email-masked]           |         
_______________________________________________________________________________

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------------------ RFC822 Header Follows ------------------
From: "Jason Lye" <[email-masked]>
Date: Thu, 20 Mar 1997 14:50:19 -0500
To: [email-masked]
Subject: CCL:ZINDO Energy Units
Cc: [email-masked], [email-masked]
Sender: Computational Chemistry List <[email-masked]>