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:

Tipo de documento:
Article
Estado:
Acceso restringido
Áreas de conocimiento:
- Química analítica
- Ingeniería química
Áreas temáticas:
- Química física
- Química analítica