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Norma Flores-Holguín

12 09 2020
< 1 minute

Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A–F Marine Drugs

ABSTRACT: A well-behaved model chemistry previously validated for the study of the chemical...

12 09 2020
< 1 minute

Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of Conceptual DFT

ABSTRACT: The MN12SX density functional, in connection with the Def2TZVP basis set, was assessed,...