An Evaluation of Density Functional Theory for CO Adsorption on Pt(111)

Yu-Wei Huang; Ren-Shiou Ke; Weichang Hao; Shyi‐Long Lee

doi:10.1007/978-3-319-01529-3_11

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An Evaluation of Density Functional Theory for CO Adsorption on Pt(111)

Yu-Wei Huang Ren-Shiou Ke Weichang Hao Shyi‐Long Lee

Year: 2013 Progress in theoretical chemistry and physics Pages: 195-210 Publisher: Springer Nature (Netherlands)

DOI: 10.1007/978-3-319-01529-3_11

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Keywords:

Adsorption Excitation Cluster (spacecraft) Density functional theory HOMO/LUMO Energy (signal processing) Chemistry Materials science Computational chemistry Physical chemistry Molecule Physics Organic chemistry Quantum mechanics

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An Evaluation of Density Functional Theory for CO Adsorption on Pt(111)

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