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- W2097902015 abstract "The Minnesota family of density functionals (M06, M06L, M06-2X and M06-HF) has been used to calculate the UV-Vis spectra of the thioindigo molecule in solvents of different polarities using time-dependent density functional theory (TD-DFT) and the polarized continuum model (PCM). The maximum absorbance wavelengths predicted for each functional were compared with the known experimental results." @default.
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- W2097902015 date "2017-10-12" @default.
- W2097902015 modified "2023-09-26" @default.
- W2097902015 title "A Brief Performance Test of the M06 Family of Density Functionals for the Prediction of the Maximum Absorption Wavelength of Thioindigo in Several Solvents" @default.
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- W2097902015 doi "https://doi.org/10.29356/jmcs.v57i1.231" @default.
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