CCL: DFT Software



   Hi Raphael Martinez,
The MPQC (www.mpqc.org) has the DFT method and their results are very good even for big molecules.

Best Regards,
Rodrigo Bogossian

2011/4/8 Raphael Martinez raphaelmartinez1983%gmail.com <owner-chemistry+/-ccl.net>

Sent to CCL by: "Raphael  Martinez" [raphaelmartinez1983/./http://gmail.com" target="_blank">gmail.com]
What software could be inexpensive (or free better) that could run DFT calculations to small organic molecules?. A software that can give decent results and allow to include the results in a publication. Thanks a lot for the help.



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