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Updated: Jun 20, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

Reaction intermediates of CO oxidation on gas phase Pd4 clusters: a density functional study

Bulumoni Kalita1, Ramesh C Deka

  • 1Department of Chemical Sciences, Tezpur University, Tezpur 784028, Assam, India.

Journal of the American Chemical Society
|September 2, 2009
PubMed

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