Computational study of oxidation mechanism of mineral green pigments
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Modeling"
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
The influence of water molecules on the stability of mineral green pigments in Chinese ancient painting
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2019.136592
Abstract: Abstract The adsorption of water molecules on mineral green pigment (MGP) was investigated by using density-functional theory (DFT) calculations. The lowest-energy structures of mineral green pigment and hydrated complexes are identified, and the adsorption of… read more here.
Keywords: water; influence water; molecules stability; mineral green ... See more keywords