Subject: mass spectral fragment calculations

From: [email-masked]
Date: Tue, 27 Dec 1994 14:02:00 -0500

In J. Mol Struc 311 (1994) 331-341, I. Mayer and A. Gomory describe a 
     semiempirical method for partitioning the energy to determine the two 
     center contibution to the total energy. We are very interested in this 
     technique and ar interested in having this method available to us, 
     however, the only molecular modelling software we have is Hyperchem 
     (3.0). 
     
     If it is possible for us to implement this technique as a programming 
     extension, or if it is available via some other route, we would like 
     to know. It is not clear to us how one would go about adding 
     extensions to the hyperchem program.
     
     thank you for your assistance
     
     matt harbowy
     chemist
     thomas j. lipton, inc.
     
     [email-masked]
     [email-masked]
     "I'm the bear that went over the mountain"