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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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An efficient parallel algorithm for the calculation of unrestricted canonical MP2 energies

Jon Baker1, Krzysztof Wolinski

  • 1Parallel Quantum Solutions, Fayetteville, Arkansas 72703, USA. baker@pqs-chem.com.

Journal of Computational Chemistry
|September 29, 2011
PubMed

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