Inelastic Neutron Scattering: A Tool in Molecular Vibrational Spectroscopy and a Test of ab Initio Methods
β Scribed by Hudson, Bruce S.
- Book ID
- 127303257
- Publisher
- American Chemical Society
- Year
- 2001
- Tongue
- English
- Weight
- 673 KB
- Volume
- 105
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
## DichloromethylmethyldiΓuorosilane was synthesized for the Γrst time. Raman spectra of the (CHCl 2 SiF 2 CH 3 ) liquid were obtained at various temperatures between 298 and 163 K. Spectra of the amorphous solid were recorded at 85 K and spectra of crystalline solids cooled by di β erent technique
The use of ab initio quantum chemical methods to aid in the interpretation of resonance Raman spectra is illustrated with examples where the resonant electronic absorption spectra are unstructured. In such cases only the gradient of the excited electronic state potential energy surface at the ground