2014
9.Chemical reactivity of quinmerac herbicide through the fukui function. LH Mendoza-Huizar - Acta Chimica Slovenica, 61(4), 694-702, 2014. ISSN? 1318-0207.https://journals.matheo.si/index.php/ACSi/article/download/1257/326
Abstract
In the present work we have calculated DFT reactivity descriptors for quinmerac (7-chloro-3-methylquinoline-8-carboxylicacid) at the MP2/6-311++G(d,p)//B3LYP/6-311++G(2d,2p) level of theory to analyze its reactivity. Reactivitydescriptors such as ionization energy, molecular hardness, electrophilicity, condensed Fukui function and total energieswere calculated to predict changes in its reactivity. The Fukui function values predict that electrophilic and free radicalattacks on quinmerac might cause aromatic substitutions, while nucleophilic attacks would cause cleavage of the C=Nbond
Chemical Reactivity of Atrazine Employing the Fukui Function
Evaluación de Esteroides Aromáticos como Indicadores de Madurez Térmica en Extractos de Roca
ELECTROCHEMICAL STUDY ABOUT ZINC ELECTRODEPOSITION ONTO GCE AND HOPG SUBSTRATES