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Journal of the American Chemical Society|May 30, 2008
Origin of selectivity switch in Fischer-Tropsch synthesis over Ru and Rh from first-principles statistical mechanics studiesJia Chen, Zhi-Pan LiuJournal of the American Chemical Society|May 26, 2011
Origin and activity of gold nanoparticles as aerobic oxidation catalysts in aqueous solutionCheng Shang, Zhi-Pan LiuJournal of Chemical Theory and Computation|November 22, 2015
Constrained Broyden Dimer Method with Bias Potential for Exploring Potential Energy Surface of Multistep Reaction ProcessCheng Shang, Zhi-Pan LiuPhysical Chemistry Chemical Physics : PCCP|December 11, 2012
Dual reaction channels for photocatalytic oxidation of phenylmethanol on anataseYe-Fei Li, Zhi-Pan LiuThe Journal of Chemical Physics|April 15, 2023
Electrochemical hydrogen evolution on Pt-based catalysts from a theoretical perspectiveKe-Xiang Zhang, Zhi-Pan LiuJournal of the American Chemical Society|September 19, 2024
In Situ Surfaced Mn-Mn Dimeric Sites Dictate CO Hydrogenation Activity and C2 Selectivity over MnRh Binary CatalystsKe-Xiang Zhang, Zhi-Pan LiuPhysical Chemistry Chemical Physics : PCCP|December 16, 2014
Reaction sampling and reactivity prediction using the stochastic surface walking methodXiao-Jie Zhang, Zhi-Pan LiuJournal of the American Chemical Society|January 16, 2018
Active Site Revealed for Water Oxidation on Electrochemically Induced δ-MnO2: Role of Spinel-to-Layer Phase TransitionYe-Fei Li, Zhi-Pan LiuPhysical Chemistry Chemical Physics : PCCP|January 23, 2016
Anisotropic kinetics of solid phase transition from first principles: alpha-omega phase transformation of ZrShu-Hui Guan, Zhi-Pan LiuJournal of Chemical Theory and Computation|August 3, 2016
Subnano Pt Particles from a First-Principles Stochastic Surface Walking Global SearchGuang-Feng Wei, Zhi-Pan LiuPageof 105