Quantifying the performances of DFT for predicting vibrationally resolved optical spectra: asymmetric fluoroborate dyes as working examples

BEDNARSKA, Joanna et al. Quantifying the performances of DFT for predicting vibrationally resolved optical spectra: asymmetric fluoroborate dyes as working examples. In Journal of Chemical Theory and Computation. - Washington : The American Chemical Society, 2017. ISSN 1549-9618, 2017, vol. 13, no. 9, pp. 4347-4356. Dostupné na: https://doi.org/10.1021/acs.jctc.7b00469.