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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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An eight-degree-of-freedom, time-dependent quantum dynamics study for the H2+C2H reaction on a new modified potential

Dunyou Wang1, Winifred M Huo

  • 1Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, MS-IN: K8-91, P.O. Box 999, Richland, Washington 99352, USA. dunyou.wang@pnl.gov

The Journal of Chemical Physics
|October 24, 2007
PubMed

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