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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Simulating water with the self-consistent-charge density functional tight binding method: from molecular clusters to

Hao Hu1, Zhenyu Lu, Marcus Elstner

  • 1Department of Chemistry, Duke University, Durham, North Carolina 27708, USA. hao.hu@duke.edu

The Journal of Physical Chemistry. A
|May 4, 2007
PubMed

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