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Critical thoughts on computing atom condensed Fukui functions
ArticleAbstract: Different procedures to obtain atom condensed Fukui functions are described. It is shown how the resPalabras claves:Autores:Ayers P.W., Bultinck P., Fias S., Ramón Carbö-D̈orca, Van Alsenoy C.Fuentes:scopusGeneralized polansky index as an aromaticity measure in polycyclic aromatic hydrocarbons
Conference ObjectAbstract: In this work, the ideas of molecular quantum similarity are used to generalize the Polansky similariPalabras claves:Aromaticity, NOEL, Polansky, Quantum SimilarityAutores:Bultinck P., Fias S., Gallegos A., Ponec R., Ramón Carbö-D̈orca, Van Damme S.Fuentes:scopus