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Frustrated amino functional group coupling with electric field makes CO2 activation easier

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New models associated with frustrated geometry and electric field (EEF) were designed to qualitatively and quantitatively explore CO2 activation through density functional calculations. We investigated the influence of the microenvironments... Click to show full abstract

New models associated with frustrated geometry and electric field (EEF) were designed to qualitatively and quantitatively explore CO2 activation through density functional calculations. We investigated the influence of the microenvironments...

Keywords: electric field; co2 activation; frustrated amino; amino functional

Journal Title: Physical Chemistry Chemical Physics
Year Published: 2023

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