How Does CO2 React with Styrene Oxide in Co-MOF-74 and Mg-MOF-74? Catalytic Mechanisms Proposed by QM/MM Calculations
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DOI: 10.1021/acs.jpcc.7b09790
Abstract: We report a QM/MM computational study of the cycloaddition between carbon dioxide (CO2) and styrene oxide in two different metal–organic frameworks (MOFs), Co-MOF-74 and Mg-MOF-74, to obtain atomic-level insights into the catalytic mechanism. The results… read more here.
Keywords: styrene oxide; react styrene; mof; co2 react ... See more keywords