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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Chemical accuracy in QM/MM calculations on enzyme-catalysed reactions

Adrian J Mulholland1

  • 1Centre for Computational Chemistry, University of Bristol, Bristol, UK. Adrian.Mulholland@bristol.ac.uk

Chemistry Central Journal
|September 21, 2007
PubMed

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