MOPAC

Software Summary

Mesabi

Default Module: 

2012

Other Modules Available: 

2012

Last Updated On: 

Wednesday, December 7, 2016

Mesabi K40

Default Module: 

2012
Other Modules Available: 

2012

Last Updated On: 

Wednesday, December 7, 2016

Mangi

Default Module: 
2012
Other Modules Available: 

2012

Last Updated On: 

Wednesday, December 7, 2016

Mangi v100

Default Module: 

2012
Other Modules Available: 

2012

Last Updated On: 

Wednesday, December 7, 2016

NICE

Default Module: 

2012

Other Versions Available: 

2012

Last Updated On: 

Wednesday, December 7, 2016

Last Updated On: 

Wednesday, December 7, 2016

Support Level: 
Secondary Support
Software Access Level: 
Open Access
Software Categories: 
Electronic Structure
Software Description

MOPAC is a general-purpose semi-empirical molecular orbital package for the study of chemical structures and reactions. MOPAC calculates vibrational spectra, thermodynamic quantities, isotopic substitution effects, and force constants for molecules, radicals, ions and polymers. It can carry these out using methods such as AM1, PM3, and PM6.

Software Documentation

Software Documentation Tabs