INIFTA 05425
INSTITUTO DE INVESTIGACIONES FISICO-QUIMICAS TEORICAS Y APLICADAS
Unidad Ejecutora - UE
artículos
Título:
QSPR Modeling of Metal Halides Lattice Enthalpy
Autor/es:
E.A. CASTRO; A.P. TOROPOVA; A.A. TOROPOV; D.V. MUKHAMEDJANOVA
Revista:
J.Arg.Chem.Soc.
Referencias:
Año: 2006 vol. 94 p. 105 - 112
Resumen:
By means of optimisation of correlation local invariant weights in graph of atomic orbitals one-variable quantitative structure-property relationships have been obtained. Statistical characteristics of the best such model are the following: n = 13, r = 0.9999, s = 1.21 kJ/mol, F = 55060 (training set); n = 7, r = 0.9990, s = 7.68 kJ/mol, F = 2485 (test set)
