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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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Semiclassical instanton approach to calculation of reaction rate constants in multidimensional chemical systems

Maksym Kryvohuz1

  • 1Arthur Amos Noyes Laboratory of Chemical Physics, 127-72, California Institute of Technology, Pasadena, California 91125, USA. maximian@caltech.edu

The Journal of Chemical Physics
|March 25, 2011
PubMed

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