NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
2010/05/17 by Marat Valiev, M. Valiev, Eric J. Bylaska +19 · 89 citations
Physics and Astronomy · Chemical Engineering · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Catalysis and Oxidation Reactions
paper · doi:10.1016/j.cpc.2010.04.018
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