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ab initio Simulation of UV-visible Spectra
UV-visible response factors are commonly used in analytical chemistry in order to evaluate the different compound proportions of a mix. Particularly popular in the... -
Study on chrysazin-aluminium(III) interaction in solution by spectroscopy and...
Spectroscopic (UV-Vis and fluorescence) and theoretical studies were used to assess relevant interaction of aluminium(III) and chrysazin (1,8-dihydroxyanthraquinone)... -
pH influence on the complexation site of Al(III) with protocatechuic acid. A ...
Electronic spectroscopy techniques with the aid of quantum chemical calculations, and notably the Time-Dependent Density Functional Theory, can be used to probe the... -
Impact of Vibronic Couplings on Perceived Colors: Two Anthraquinones as a Wor...
International audience -
Theoretical investigations of inorganic complexes and metallic clusters of na...
The work reported in this manuscript deals with the applications of quantum chemistry tools on several types and families of chemical compounds, i. e., clusters...
