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Calculation of molecular polarizability and water solubility of alkanes and alcohols
ArticleAbstract: Molecular polarizabilities and water solubilities of alkanes and alcohols have been calculated resorPalabras claves:Autores:Castro E.A., Pablo R. DuchowiczFuentes:scopusImproved atom equivalents method for conveting density functional theory energies calculated on molecular mechanics structures to heats of formation
ArticleAbstract: We present an improved atom equivalents method for converting Density Functional Theory energies calPalabras claves:Autores:Castro E.A., Pablo R. DuchowiczFuentes:scopus