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The Journal of Chemical Physics|May 4, 2026
A different Hubbard U value should be used for the metal-oxo cluster node in a metal-organic framework than for its extended phase: A case study of Ce-based materialsJia Wang, Xin-Ping WuPhysical Review Letters|March 12, 2016
Clustering of Oxygen Vacancies at CeO2(111): Critical Role of HydroxylsXin-Ping Wu, Xue-Qing GongJournal of the American Chemical Society|October 7, 2015
Unique Electronic and Structural Effects in Vanadia/Ceria-Catalyzed ReactionsXin-Ping Wu, Xue-Qing GongJournal of Chemical Theory and Computation|February 1, 2024
Level-Shifted Embedded Cluster Method for Modeling the Chemistry of Metal OxidesMing-Yu Yang, Xin-Ping WuJournal of the American Chemical Society|May 30, 2018
Cerium Metal-Organic Framework for PhotocatalysisXin-Ping Wu, Laura Gagliardi, Donald G TruhlarThe Journal of Chemical Physics|February 3, 2019
Metal doping in cerium metal-organic frameworks for visible-response water splitting photocatalystsXin-Ping Wu, Laura Gagliardi, Donald G TruhlarJournal of Chemical Theory and Computation|May 31, 2019
Multilink F* Method for Combined Quantum Mechanical and Molecular Mechanical Calculations of Complex SystemsXin-Ping Wu, Laura Gagliardi, Donald G TruhlarMolecules (Basel, Switzerland)|June 1, 2018
Parametrization of Combined Quantum Mechanical and Molecular Mechanical Methods: Bond-Tuned Link AtomsXin-Ping Wu, Laura Gagliardi, Donald G TruhlarThe Journal of Chemical Physics|April 9, 2022
Unique catalytic mechanisms of methanol dehydrogenation at Pd-doped ceria: A DFT+U studyLu Chen, Xin-Ping Wu, Xue-Qing GongPhysical Chemistry Chemical Physics : PCCP|December 24, 2014
Role of oxygen vacancies in the surface evolution of H at CeO2(111): a charge modification effectXin-Ping Wu, Xue-Qing Gong, Guanzhong LuPageof 6