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Notes on quantitative structure-properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolution
ArticleAbstract: Classical quantitative structure-properties relationship (QSPR) statistical techniques unavoidably pPalabras claves:Descriptor and molecular spaces, Fundamental QQSPR equation, Gram matrices, QSPR dimensionality paradox (QSPR DP), Quantum similarity matricesAutores:Gallegos A., Ramón Carbö-D̈orca, Sánchez A.Fuentes:scopusMaximal probability domains in linear molecules
ArticleAbstract: Regions of space are defined to maximize the probability to find a given number of electrons within.Palabras claves:Linear molecules; electron localization function (ELF), Maximal probability domainsAutores:Cancès E., Gallegos A., Lodier F., Ramón Carbö-D̈orca, Savin A.Fuentes:scopus