Computational study of oxidation mechanism of mineral green pigments
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DOI: 10.1007/s00894-021-04718-z
Abstract: The molecular structures, electronic properties, and the UV–vis absorption spectra of the oxides of mineral green pigment (MGP) have been theoretically calculated by using the density-functional theory (DFT) method. Our results reveal that the ground-state… read more here.
Keywords: oxidation mechanism; computational study; mineral green; mechanism mineral ... See more keywords