Subject: Bond energy of R2NO-R

From: "Schiffer, Heinz, Dr., WIA / SC" <[email-masked]>
Date: Sun, 28 Apr 1996 19:03:26 +0200

Hi all,

I am looking for experimentally measured bond dissociation energies of the 
O-R bond in R2NO-R compounds with R=H or R=CH3. I want to study larger 
systems with this structural unit and therefore want to to find out the best 
( price/performance ) ab initio ( ROHF, UHF, MP2 ) or density functional 
method ( LSDA and also non-local ones like B-VWN, B-LYP, B-P, B3-LYP ) for 
these systems. I will post a summary to the list. I wasn't able to find any 
useful references in our library, so I would be very grateful to anyone of 
the community, who can help me out.

Heinz

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Dr. Heinz Schiffer              65926 Frankfurt am Main
Hoechst AG                      Phone ++49-69-305-2330 
Scientific Computing            Fax   ++49-69-305-81162
                                                       
Email : [email-masked]                
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