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MPW1K Performs Much Better than B3LYP in DFT Calculations on Reactions that Proceed by Proton-Coupled Electron

Mark Lingwood1, Jeff R Hammond, David A Hrovat

  • 1Department of Chemistry, University of Washington, Box 351700, Seattle, WA 98195-1700.

Journal of Chemical Theory and Computation
|August 30, 2008
PubMed

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