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Computational chemistry/9/en
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Revision as of 22:00, 17 January 2018 by
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Abinit
CP2K
CPMD
deMon
GAMESS-US
Gaussian
(on Graham only)
NWChem
ORCA
PSI4
Quantum ESPRESSO
SIESTA
VASP
See the
Biomolecular simulation
page for a discussion on the resources relevant to this area of research.