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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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Theoretical investigations on decomposition of HCOOH catalyzed by Pd7 cluster

Song Ju Li1, Xin Zhou, Wei Quan Tian

  • 1State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, Harbin 150080, People's Republic of China.

The Journal of Physical Chemistry. A
|October 30, 2012
PubMed

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