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All valence electron wavefunctions and electrostatic molecular potentials under zero differential overlap approximation
ArticleAbstract: The zero differential overlap approach is proposed for the evaluation of electrostatic molecular potPalabras claves:Autores:Caballol R., Gallifa R., Martín M., Ramón Carbö-D̈orcaFuentes:scopusGround and first excited states electrostatic molecular potentials of ketene and diazomethane
ArticleAbstract: INDO wavefunctions for 1A1, 1A″ and 3A″ states of ketene and diazomethane, obtained with a RHF technPalabras claves:Autores:Caballol R., Martín M., Ramón Carbö-D̈orcaFuentes:scopusTheoretical interstellar and prebiotic organic chemistry: A tentative methodology
ArticleAbstract: A theoretical methodology for the systematic study of the interstellar molecules is proposed. Some ePalabras claves:Autores:Caballol R., Gallifa R., Hernández J.A., Martín M., Ramón Carbö-D̈orca, Riera J.M.Fuentes:scopus