Empirical quantum chemical approach to structure-gas chromatographic retention index relationships : I. Sterol acetates
作者： M. Gassiot , E. Fernandez , G. Firpo , R. Carbó , M. Martin
DOI: 10.1016/S0021-9673(00)84677-4
关键词:
摘要: It has been found possible to correlate chromatographic retention parameters directly with molecular electronic structure by means of a linear relationship. The empirical used are total energy and localized charge, calculated the method Del Re. They deduced from they permit index be theoretically an acceptable error.
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