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QSPR study of valproic acid and its functionalized derivatives
ArticleAbstract: This work establishes a Quantitative Structure-Property Relationships (QSPR) based analysis with thePalabras claves:Atoms in molecules theory, Molecular descriptors, Pauling's Resonance Theory, QSPR Theory, Valproic AcidAutores:Castro E.A., Comelli N.C., Jubert A.H., Lobayan R.M., Pablo R. DuchowiczFuentes:scopusResonance structure contributions, flexibility, and frontier molecular orbitals (HOMO–LUMO) of pelargonidin, cyanidin, and delphinidin throughout the conformational space: application to antioxidant and antimutagenic activities
ArticleAbstract: This research refers to the study and understanding of the conformational space of the positive-charPalabras claves:Anthocyanidins, Antioxidant and antimutagenic activities, Conformational space, Cyanidin, Delphinidin, density functional theory, HOMO–LUMO, Molecular polarizability, Pelargonidin, Permanent dipole moment, Positive-charged quinoidal structuresAutores:Lobayan R.M., Pablo R. Duchowicz, Pomilio A.B., Szewczuk N.A.Fuentes:scopus