Semichem, Inc. — Providers of Solutions for Computational Chemistry

Semiempirical Quantum Mechanics

Faster and more robust than any competing product
An extensive manual with references, examples, and discussions of methods
SAM1, AM1, MNDO, PM3, MNDO/C, MINDO/3 semiempirical methods
MNDO/d semiempirical method
Simulated annealing for automated location of multiple minima
Advanced transition state location methods (CHAIN, IRC, EF, TRUST)
Configuration Interaction (CI) for open shell systems, fully analytical and stable
Property prediction: thermodymanic, ESR, vibrational spectra, electronic effects, NLO
Treatment of solvated systems by COSMO
Additional treatment of solvated systems by our optional AMM-2001 AMSOL Model Module is available for an additional charge. Please contact Customer Service for details.