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: http://classic.chem.msu.su/gran/gamess/marek/en/main.htm
Дата изменения: Tue Oct 28 10:16:48 2008
Дата индексирования: Mon Oct 1 20:53:51 2012
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This is an information-page for PC-Gamess / FireFly and contain a tutorial and other helpful stuff
This page was written because computational chemistry applied in the right way has
an enormous potential in research.
Due to the lack of helpful introductions and a time consumptive orientation in this issue
the appliance of this technology is less than it could/should be.
Computational chemistry has a kind of elitist reputation, because there are several
requirements to use this technology in a serious way.
One need good chemical imagination, good computer knowledge, experience in
preparing calculations, time to do that and of course an appropriate hardware and
software.
I hope this document will help a little bit to enlarge distribution of such technology.