Mopac download

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New Releases. Desktop Enhancements. MOPAC is under constant maintenance. If your copy of MOPAC does not work correctly, check the maintenance record to see if there is a more up-to-date version. Three modifications to the approximations were made, these mainly affect the way the core-core interaction was defined.

Parameters were optimized for most elements, the exceptions being 12 of the lanthanides and all of the actinides. The lanthanides can be represented by sparkles. For details, see the on -line PM6 journal article , and its supplementary material. MOPAC was started in , and has been under continuous development since then. MOPAC 7. All published NDDO parameter sets were supported. It is fully in the public domain.

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