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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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A MATLAB-based finite-element visualization of quantum reactive scattering. I. Collinear atom-diatom reactions

Mick Warehime1, Millard H Alexander2

  • 1Chemical Physics Program, University of Maryland, College Park, Maryland 20742-2021, USA.

The Journal of Chemical Physics
|July 17, 2014
PubMed

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