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Xian-Yong Pang

Taiyuan University of Technology

18

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375

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Reaction mechanism of ethylene glycol decomposition on Pt model catalysts: A density functional theory study

2016 Applied Surface Science
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Reaction mechanism and Z‐selectivity for chelated Ru‐catalyzed AROCM of endic anhydride and propene: A DFT study

2016 International Journal of Quantum Chemistry
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Experimental and DFT study on the catalytic asymmetric hydrogenation performance of (1S,2S)-DPEN-Ru(TPP)2 encapsulated in zeolite

2014 Journal of Molecular Catalysis A-chemical
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Structure Sensitivity of CO Oxidation on Co3O4: A DFT Study

2013 ChemPhysChem
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Selective oxidation of propylamine on oxygen-covered Au(111): a DFT study

2012 Journal of Molecular Modeling
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Theoretical studies of adsorption property on Ir4/MgO and Ir4/γ-Al2O3

2011 Journal of Natural Gas Chemistry
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Investigation the active site of methane dissociation on Ni-based catalysts: A first-principles analysis

2010 Journal of Molecular Catalysis A-chemical
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DFT study of the structure sensitivity for the adsorption of methyl, methoxy, and formate on Ni(1 1 1), Ni(1 0 0), and Ni(1 1 0) surfaces

2010 Journal of Molecular Structure-theochem
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Selective oxidation of styrene on an oxygen‐adsorbed Cu(111): A comparison with Au(111)

2009 Journal of Computational Chemistry
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Selective oxidation of styrene on an oxygen-adsorbed Au(111): A density functional theory study.

2009 Journal of Computational Chemistry
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Citations (15)