Research Article
Chemical Reactivity Properties, Solubilities, and Bioactivity Scores of Some Pigments Derived from Carotenoids of Marine Origin through Conceptual DFT Descriptors
Table 7
Global reactivity descriptors (in eV) for the β-cryptoxanthin pigment calculated with the MN12SX and N12SX density functionals and the Def2TZVP basis set using the four solvents, simulated with the SMD parametrization of the IEF-PCM model.
|