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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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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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Multiscale approach to explore the potential energy surface of water clusters (H2O)nn <or= 8

Quoc Chinh Nguyen1, Yew Soon Ong, Harold Soh

  • 1School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore.

The Journal of Physical Chemistry. A
|June 25, 2008
PubMed

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