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CatApp

CatApp

Calculated reaction and activation energies for elementary coupling reactions occurring on metal surfaces can be found by using a web application called CatApp. This tool provides access to data for reactions of molecules with up to three C, N, or O atoms on a number of different transition-metal surfaces. The underlying dataset is generated from a consistent set of DFT calculations and extrapolations based on linear scaling relations. By SLAC National Accelerator Laboratory.

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