Variable electronegativity self-consistent field

The somewhat arbitrary use of the auxiliary inductive parameter in the Hiickel MO calculations has been questioned and the effect of the nonuniform distribution of a-electron densities, particularly in the CN bond,90 upon the 77-electron distribution has been discussed.65 Variable electronegativity self-consistent field (VESCF) molecular orbital calculations, which are an elaboration of the conventional SCF method and allow for the variation in electronegativity of an... 

The dipole moment of quinazoline was calculated from variable electronegativity self-consistent field (VESCF) molecular orbital procedures with... 

VESCF variable electronegativity self-consistent field... 

FF = force field PFC = partition function contribution QM = quantum mechanics VESCF = variable electronegativity self-consistent field. 

Of the more exact methods, the limited configuration interaction (Cl MO LCAO) method and the self-consistent field (SCF MO LCAO) method will be mentioned. In contrast to the HMO method, both of these explicitly take electron repulsion into account. The Cl method is particularly valuable for the calculation of various physical properties, especially electronic spectra. A more detailed description is beyond the scope of the present review the reader is referred to original papers [Cl,17-20 SCF,21-23 and VESCF24 (variable electronegativity)] and to various reviews and monographs.5 25,26... 

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