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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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Correction to "SHARC - Ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including
Martin Richter1, Philipp Marquetand1, Jesús González-Vázquez1
1Departamento de Química Física I, Universidad Complutense, 28040 Madrid, Spain.
Journal of Chemical Theory and Computation
|November 24, 2015
Abstract
No abstract available in PubMed .
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