D. Papousek et al., ELECTRIC-DIPOLE MOMENT DERIVATIVES FOR GERMANE COMPUTED BY DENSITY-FUNCTIONAL METHOD, Indian journal of chemistry. Sect. A: Inorganic, physical, theoretical & analytical, 34(10), 1995, pp. 760-764
The first derivatives of the electric dipole moments along the symmetr
y coordinates have been computed for D3GeH and DGeH3 by means of the d
eMon density functional program [St-Amant A & Salahub D R, Chem phys L
ett, 169 (1990) 387] and transformed into those for GeH4, GeD4, and H2
GeD2 using relations between the symmetry coordinates for T-d C-3 nu a
nd C-2 nu molecules. Dipole moment derivatives along the normal coordi
nates of vibration have been calculated using the force field for GeH4
and compared with the available experimental data.