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New version of MOPAC 2002

discussion discussion at fqspl.com.pl
Thu Jan 24 07:34:39 EST 2002

MOPAC 2002 for Linux (with GUI), Unix, Windows

* New method PM5 - 4x more accurate (over PM3 and AM1)
* Addition of AM1-d - the full set of metals that can be run using AM1
is now V, Fe, Cu, Mo, Pd, Ag, and Pt.
* Linear scaling COSMO
* Improved SCF convergence in MOZYME
* Improved evaluation of canonical molecular orbitals
* Addition of new parameter sets
* Molecular Mechanics correction for carbon ring systems

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