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This tutorial 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.

Nowadays computer technology is able to calculate chemical behaviour of molecules

used in research with an adequate accuracy in a manageable time.

In am sure that in 5-10 years every bigger research group will have one scientist who will

support current assays.

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.

M. Checinski

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MaxIT Classic Manual do Utilizador Página 2