What's new in MOPAC2012™ ?
MOPAC2012™ is the successor to MOPAC2009™ and includes the new
methods PM7 and PM7-TS.
•
Improved accuracy for organic compounds and crystals
• Improved accuracy for organic barrier heights
• Optimize giant molecules up to 15,000 atoms, e.g. proteins
• ALL main group elements & transition metals parameterized
• Many serious errors from PM6, PM3 and AM1 corrected
• Crystals, surfaces & polymers with periodic boundaries
• Free to academics
MOPAC2012™ 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, and runs on Windows®, Linux,
and Macintosh platforms.
Customers with MOPAC2009™ support will be able to upgrade to MOPAC2012™ at no cost.
For more information, click to see the MOPAC2012 brochure
*compared to AM1, PM3 and some ab initio methods
