|Title||ELECTRIC-DIPOLE MOMENT DERIVATIVES FOR GERMANE COMPUTED BY DENSITY-FUNCTIONAL METHOD|
|Publication Type||Journal Article|
|Year of Publication||1995|
|Authors||Papousek, D, Papouskova, D, Chong, DP|
|Journal||Indian Journal of Chemistry Section a-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry|
|Type of Article||Article|
The first derivatives of the electric dipole moments along the symmetry coordinates have been computed for D3GeH and DGeH3 by means of the deMon density functional program [St-Amant A & Salahub D R, Chem phys Lett, 169 (1990) 387] and transformed into those for GeH4, GeD4, and H2GeD2 using relations between the symmetry coordinates for T-d C-3 nu and C-2 nu molecules. Dipole moment derivatives along the normal coordinates of vibration have been calculated using the force field for GeH4 and compared with the available experimental data.
|URL||<Go to ISI>://A1995RW56600002|