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MOPAC2009


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OS: Linux, Windows





MOPAC2009 includes the capability to optimize systems of up to 15,000 atoms, such as proteins.

Optimize giant molecules up to 15,000 atoms, e.g. proteins
PM6 parameterization using experimental and ab initio data
More accurate heats of formation and geometries
ALL main group elements & transition metals parameterized
Serious errors from PM3 and AM1 corrected
Crystals, surfaces & polymers with periodic boundaries
FREE to academics

MOPAC2009 is a semiempirical quantum chemistry software package for the prediction of chemical properties and modeling of chemical reactions. It is used by chemists and biochemists for both research and teaching.


Link: http://www.openmopac.net/MOPAC2007.html


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