report ab initio studies of the
dipole polarizabilities (α) and first
static hyperpolarizabilities (β) for
a set of substituted hexatriene in which electron donating (D) and electron
accepting (A) groups were introduced either end parts of the hexatriene chain
NO2-(CH=CH)3-D. Geometries of all molecules were
optimized at the Hartree-Fock HF/6-311 G(2d,p) level of theory.
Polarizabilities of these molecules w