Tag: maximum absorption wavelength

About the Computational Prediction of the Maximum Absorption Wavelengths of Indigo in Different Solvents with the Minnesota Family of Density Functionals

The results of using the Minnesota family of density functionals (M05, M05-2X, M06, M06L, M06-2X, and M06-HF) for the calculation of the UV-Vis of the Indigo molecule in different polarity solvents using Time-Dependent Density Functional Theory (TD-DFT) and the Polarized Continuum Model are presented in this paper (PCM). The projected maximum absorption wavelengths for each […]

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