mass spectral fragment calculations



      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.
      matthew.harbowy(-(at)-)tjlus.sprint.com
      o-cha(-(at)-)cnj.digex.net
      "I'm the bear that went over the mountain"