MadSci Network: Chemistry
Query:

Re: IS IT POSSIBLE TO SYNTHEZISE MOLECULES VIRTUALLY?

Date: Fri Nov 26 13:49:50 1999
Posted By: Myron Cagan, Staff Engineer, process development, micro devices
Area of science: Chemistry
ID: 943129519.Ch
Message:

There are a number of molucular modeling simulations based on various types
of quantum mechanical calcluations.  Some of these are written by companies
such as Evans & Sutherland (located in Utah I believe) and WaveFunction,
Inc. (Irvine, CA)to name two of many. There has been much academic research
in this area as well over the past 25-30+ years.  I don't know if these
programs model the kinetics of a chemical reaction.  I believe that they can
estimate the stability of any molucular structure.  They allow you to 'fly'
around the molecule that you have 'made' to observe its possible spatial
structure.  If you look into the chemical literature you will find that a
lot of effort is going into this kind of computer simulation/study of
molecules.  I believe that there are journals devoted exclusively to the
topic of applying computing techniques to chemical and biological problems.
Check in your University library or in the Chemistry or Biology Departments.



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