TY  - GEN
AU  - Flores-Holguin, Norma
AU  - Frau, Juan
AU  - Glossman-Mitnik, Daniel
PY  - 2019
DO  - 10.1155/2019/9624108
SN  - 2090-9063
UR  - https://hdl.handle.net/20.500.12105/22725
AB  - Five density functionals, CAM-B3LYP, LC-omega HPBE, MN12SX, N12SX, and omega B97XD, in connection with the Def2TZVP basis set were assessed together with the SMD solvation model for the calculation of the molecular properties, chemical reactivities,...
LA  - eng
PB  - Hindawi
TI  - Chemical Reactivity Properties, Solubilities, and Bioactivity Scores of Some Pigments Derived from Carotenoids of Marine Origin through Conceptual DFT Descriptors
TY  - research article
ER  -