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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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Guiding Target Synthesis with Statistical Modeling Tools: A Case Study in Organocatalysis

Isaiah O Betinol1, Yutao Kuang1, Jolene P Reid1

  • 1Department of Chemistry, University of British Columbia, 2036 Main Mall, Vancouver, British Columbia V6T 1Z1, Canada.

Organic Letters
|January 14, 2022
PubMed

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