Empirical quantum chemical approach to structure-gas chromatographic retention index relationships. II. Cyclohexane derivatives


Abstract:

It has been found possible to correlate chromatographic retention parameters with molecular electronic structures by means of a multilinear relationship. The empirical parameters are deduced theoretically from molecular structure calculations. In this manner, the retention index can be pbkp_redicted with a small error (<1%). The proposed model is supported by the results of studies on 30 cyclohexane derivatives. The theoretical methodology is briefly discussed. © 1976.

Año de publicación:

1976

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Química analítica
    • Ingeniería química

    Áreas temáticas:

    • Química física
    • Química analítica