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    How Do Zn<sup>2+</sup> Ions Promote Methane Activation on Zinc-Modified Zeolites? A Hybrid Quantum-Chemical Study by Zoya N. Lashchinskaya (8102741)

    Published 2025
    “…In this work, the possible mechanisms of methane hydrogen exchange on the Zn<sup>2+</sup>/H-ZSM-5 zeolite have been analyzed by means of hybrid quantum chemical calculations (PBEh-3c/DLPNO-CCSD(T)). …”
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