Theoretical determination of electric properties and Raman intensities of HCl and HF
| Autor: | Alain Dargelos, Mohammadou Mérawa |
|---|---|
| Rok vydání: | 2000 |
| Předmět: |
Scattering
Chemistry Analytical chemistry Condensed Matter Physics Equilibrium geometry Biochemistry symbols.namesake Wavelength Polarizability Physics::Atomic and Molecular Clusters Depolarization ratio symbols Electric properties Physics::Atomic Physics Physics::Chemical Physics Physical and Theoretical Chemistry Atomic physics Anisotropy Raman spectroscopy |
| Zdroj: | Journal of Molecular Structure: THEOCHEM. 528:37-48 |
| ISSN: | 0166-1280 |
| DOI: | 10.1016/s0166-1280(99)00496-0 |
| Popis: | The dynamic polarizabilities have been calculated at different nuclear positions in order to estimate the derivatives of the polarizability and polarizability anisotropy with respect to the internuclear separation at the equilibrium geometry. Scattering cross-section and depolarization ratio presented for several values of wave length are in very good agreement with previous theoretical results and in some cases improve significantly the agreement with the experiment. Quantitative evaluations of correlation effects are also given. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect