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Updated: Jul 6, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Kinetic and thermodynamic preferences in aryl vs benzylic C-H bond activation with cationic Pt(II) complexes

Alan F Heyduk1, Tom G Driver, Jay A Labinger

  • 1The Arnold and Mabel Beckman Laboratories of Chemical Synthesis, California Institute of Technology, Pasadena, California 91125, USA.

Journal of the American Chemical Society
|November 19, 2004
PubMed

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