| Description: | [SPECIAL LICENSE REQUIRED: contact hpc-support@umich.edu] Q-Chem is a comprehensive ab initio quantum chemistry package for accurate predictions of molecular structures, reactivities, and vibrational, electronic and NMR spectra. |
| Versions: | experimental with 4.4/intel; 3.2; 4.4 with OpenMPI/intel; 4.4 with serial/intel |
| License: | See https://www.q-chem.com/qchem-website/about-qchem4.html for how to obtain a Q-chem developer license. |
