Research & Teaching Faculty

Default Header Image

ELECTRIC-DIPOLE MOMENT DERIVATIVES FOR GERMANE COMPUTED BY DENSITY-FUNCTIONAL METHOD

TitleELECTRIC-DIPOLE MOMENT DERIVATIVES FOR GERMANE COMPUTED BY DENSITY-FUNCTIONAL METHOD
Publication TypeJournal Article
Year of Publication1995
AuthorsPapousek, D, Papouskova, D, Chong, DP
JournalIndian Journal of Chemistry Section a-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry
Volume34
Pagination760-764
Date PublishedOct
Type of ArticleArticle
ISBN Number0376-4710
KeywordsMETHANE, SPECTRA
Abstract

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