Qchem

Short Description: Object-oriented quantum chemistry prog

Long Description:
Qchem is an object oriented quantum chemistry program capable of computing energies, geometries, vibrational frequencies, transition states, reaction paths, excited states, and a variety of properties based on various uncorrelated and correlated wavefunctions.

Category: Applications - Scientific and Engineering: Chemical Engineering
Applications - Scientific and Engineering: Computational Chemistry
Applications - Scientific and Engineering: Materials Science

Vendor/Developer: Q-Chem Inc.

Vendor Website: http://www.q-chem.com/

Software Website: http://www.q-chem.com/tech/guides/guide1_2.pdf

Programming Language:

Terms of Use:

Installed Copies:

NCSA: Intel 64 Linux Cluster (Version - 3.2.02)