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Zhichao Wu

South-Central Minzu University

China

SCHOLARLY PAPERS

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Scholarly Papers (1)

1.

Improving the DFT Computational Accuracy for CO Activation on Fe Surfaces by Bayesian Error Estimation Functional With Van der Waals Correlation

Number of pages: 29 Posted: 01 Sep 2022
South-Central Minzu University, South-Central Minzu University, South-Central Minzu University, South-Central Minzu University and South-Central Minzu University
Downloads 41 (1,170,409)

Abstract:

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Density functiona theory, carbon monoxide, iron surface, Adsorption, Reaction mechanism, Wulff construction