Q-Chem is a comprehensive ab initio quantum chemistry package for accurate predictions of molecular structures, reactivities, and vibrational, electronic and NMR spectra.
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© ACCESS All Rights Reserved.
ACCESS is an advanced computing and data resource supported by the
National Science Foundation
and made possible through these lead institutions and their partners:
Carnegie Mellon University,
University of Colorado Boulder,
University of Illinois at Urbana-Champaign, and
State University of New York at Buffalo .