Resonance structure contributions, flexibility, and frontier molecular orbitals (HOMO–LUMO) of pelargonidin, cyanidin, and delphinidin throughout the conformational space: application to antioxidant and antimutagenic activities

Article

Abstract: This research refers to the study and understanding of the conformational space of the positive-char

Palabras claves:

Anthocyanidins, Antioxidant and antimutagenic activities, Conformational space, Cyanidin, Delphinidin, density functional theory, HOMO–LUMO, Molecular polarizability, Pelargonidin, Permanent dipole moment, Positive-charged quinoidal structures

Autores:

Lobayan R.M., Pablo R. Duchowicz, Pomilio A.B., Szewczuk N.A.

Fuentes:

scopus