In article <832776819 at awaiter.com> howard.olson at awaiter.com (Howard Olson) writes:
>From: howard.olson at awaiter.com (Howard Olson)
>Subject: Quantum Neurochemistry?
>Date: Wed, 22 May 1996 14:52:03 GMT
>Can anyone tell me if there are any reviews in the field of
>Quantum Neurochemistry? In other words is anyone doing work such as
>Huckel calculations on neurotransmitters etc. ?
There has been some work done over the years in this area. Huckel stuff
can be useful as a start.. If you want to do some more advanced molecualr
orbital calculations, get on the world wide web and look for "MOPAC" using a
search program.
I think MOPAC 6.0 is the latest for PC's. BTW, it started as a Unix
program, so versions of this are also available. Good for calculating
ionization potentials, Molecular orbitals, etc.. Some molecular desigh
programs will produce files suitable for MOPAC.
Peter H. Proctor, PhD, MD