We are very pleased to offer MOPAC2009 to academic users at no charge, thanks to the very generous gesture of Dr. Jimmy Stewart, developer of the program. However, we are trusting you, our valued customers, to only avail yourself of this if you are employed or studying at an academic institution.
MOPAC 2009 is for use with ChemBio3D version 12.0. For customers using ChemBio3D version 11.0 please see MOPAC 2007.
MOPAC2009™ is a general-purpose semi-empirical quantum mechanics package for the study of chemical properties and reactions in gas, solution, or solid-state. This premier molecular computation application features a number of widely-used, semi-empirical methods and allows you to compute properties and perform energy minimizations, optimize to transition states, and compute properties. It supports MOPAC sparkles, has an improved user interface, and provides faster calculations.
New for MOPAC2009™, The MOZYME function. This is a linear-scaling SCF technique
suitable for modeling proteins
- Optimize systems of up to 15,000 atoms, e.g. proteins
- NEW PM6 parameterization from experimental & ab initio
- More accurate* heats of formation and geometries
- ALL main group elements & transition metals
- Serious errors from PM3 and AM1 corrected
- Crystals, surfaces & polymers with periodic boundaries
- FREE to academics
