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QChem

Type: Gateway Software

Description: Q-Chem is a comprehensive ab initio quantum chemistry package for accurate predictions of molecular structures, reactivities, and vibrational, electronic and NMR spectra.

Keywords: SEAGrid, QChem, Abinitio Quantum Chemistry

Quality Level: production

Serving State: production

Site ID: sdsc.xsede.org

Access Type: 
Execution Environment
Science Gateway: 
Execution Handle(s): 
module:qchem
Hosting Resource: 
Support Contact: 
Version: 
5.0.1

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