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Han P, Yan R, Wei Y, et al. (2023) Mechanistic Insights into Radical-Induced Selective Oxidation of Methane over Nonmetallic Boron Nitride Catalysts. Journal of the American Chemical Society |
Chen X, Sun D, Gao L, et al. (2021) Theoretical studies unveil the unusual bonding in oxygenation reactions involving cobalt(II)-iodylarene complexes. Chemical Communications (Cambridge, England) |
Sun D, Chen X, Gao L, et al. (2020) Theoretical Study on the Structural-Function Relationship of Manganese(III)-Iodosylarene Adducts. Frontiers in Chemistry. 8: 744 |
Fu Z, Yang L, Sun D, et al. (2020) Coupled electron and proton transfer in the piperidine drug metabolism pathway by the active species of cytochromes P450. Dalton Transactions (Cambridge, England : 2003) |
Liu Y, Han Y, Zhang Z, et al. (2019) Low overpotential water oxidation at neutral pH catalyzed by a copper(ii) porphyrin. Chemical Science. 10: 2613-2622 |
Yang L, Zhang Q, Gao J, et al. (2019) Why Can Normal Palladium Catalysts Efficiently Mediate Aerobic C-H Hydroxylation of Arylpyridines by Intercepting Aldehyde Autoxidation? A Nascent Palladium(III)-Peracid Intermediate Makes a Difference. Inorganic Chemistry |
Yang L, Wang F, Gao J, et al. (2018) What factors tune the chemical equilibrium between metal-iodosylarene oxidants and high-valent metal-oxo ones? Physical Chemistry Chemical Physics : Pccp |
Wang F, Xia C, de Visser SP, et al. (2018) How does the oxidation state of palladium surfaces affect the reactivity and selectivity of direct synthesis of hydrogen peroxide from hydrogen and oxygen gases? A density functional study. Journal of the American Chemical Society |
Fu Z, Chen J, Wang Y, et al. (2018) Quantum chemical simulations revealed the toxicokinetic mechanisms of organic phosphorus flame retardants catalyzed by P450 enzymes. Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews. 1-20 |
Postils V, Saint-André M, Timmins A, et al. (2018) Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes. International Journal of Molecular Sciences. 19 |