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- W2000215426 abstract "Abstract The solvatochromism of five anthraquinone compounds was evaluated at the TD-B3LYP level using the 6-31G(d,p) basis set whilst packing effects were investigated via an approach that combined semi-empirical and ab initio methods, namely ZINDO/TD-B3LYP/6-31G(d,p). This enabled calculation of the colourant's λ max with an average accuracy of 0.14 eV. The packing effects induced large changes in the UV/VIS spectra of the anthraquinones; large bathochromic and hyperchromic displacements were observed." @default.
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- W2000215426 date "2009-05-01" @default.
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- W2000215426 title "Quantitative evaluation of solvation and packing effects on the visible absorption of anthraquinone derivatives" @default.
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- W2000215426 doi "https://doi.org/10.1016/j.dyepig.2008.09.010" @default.
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