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Published in 2023 at "Physical Chemistry Chemical Physics"
DOI: 10.1039/d3cp01344h
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...
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Keywords:
electric field;
co2 activation;
frustrated amino;
amino functional ... See more keywords