The e โ ects of hydration on the structure and vibrational force รeld of the peptide group were examined by performing ab initio molecular orbital (MO) calculations on N-methylacetamide (NMA) and its clusters with up to three water molecules. The dielectric solvent e โ ect was taken into account by th
โฆ LIBER โฆ
The influence of the symmetry of the vibrations on resonance raman intensities
โ Scribed by Daniel van Labeke; Marcel Jacon; Lucien Bernard
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 258 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
Resonance
Raman intensity theory is invcstigaled by using the 6 approximalion as a basis. The influence of the transition moment derivatives is studied. Two kinds of vibrations, A and S. are then considered by the authors. It is shown that the S vibrations (generally totnlly symmetric vibrations) arc more enhanced that the A ones and arc the only vibrations which may exhibit a large progression of overtones in the remnance region.
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