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First-Principles Thermodynamic Background of the Comprehensive Reaction Network of NO Oxidation over CuSSZ-13 Catalysts-Influence of Copper Speciation and Interpretation of TPD and TPSR Profiles

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A thorough molecular DFT modeling coupled with first-principles thermodynamic (FPT), spectroscopic (EPR/IR), and catalytic investigations into a complex network of reactions involved in the interaction of NO and O2 with a comprehensive variety of active center... ...