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Empirical quantum chemical approach to structure-gas chromatographic retention index relationships. I. Sterol acetates

Abstract:

It has been found possible to correlate chromatographic retention parameters directly with molecular electronic structure by means of a linear relationship. The empirical parameters used are total energy and localized charge, calculated by the method of Del Re. They are deduced directly from the molecular structure and they permit the retention index to be calculated theoretically with an acceptable error. © 1975.

Año de publicación:

1975

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Química analítica
    • Ingeniería química

    Áreas temáticas:

    • Química física
    • Química analítica
    • Química orgánica

    Contribuidores:

    Ramón Carbö-D̈orcaRamón Carbö-D̈orca
    Firpo G.Firpo G.
    Martín M.Martín M.
    Gassiot M.Gassiot M.
    Fernandez E.Fernandez E.