INVESTIGADORES
ROMANELLI Gustavo Pablo
artículos
Título:
Application of Quantitative Structure-Retention Relationships (QSRR) to a Set of Organic Bromo and Nitrile Derivatives
Autor/es:
G. P. ROMANELLI; J. C. AUTINO; E. A. CASTRO
Revista:
TURKISH JOURNAL OF CHEMISTRY
Editorial:
SCIENTIFIC TECHNICAL RESEARCH COUNCIL TURKEY-TUBITAK
Referencias:
Año: 2002 vol. 26 p. 335 - 343
ISSN:
1300-0527
Resumen:
The retention times are studied for two sets of 1-bromo-2-aryiloxyetanes and 3- aryloxypropiononitriles derivatives by means of Quantitative Structure-Retention Relationships (QSRR}). Five quantum mechanical molecular descriptors are used to calculate the regression equations. The fitting polynomials are computed in several-variable at first, second, and third order equations. Results are only significant when resorting to several-variable formulae which seems to point out the rather complex physical chemistry nature of the property under study.
