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Article: Studies conducted at S. Luber et al on physical chemistry recently published.
- Article from:
- Chemicals & Chemistry
- Article date:
- August 28, 2009
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"We present calculations of Raman and Raman optical activity spectra of the carbohydrate molecule 1,6-anhydro-beta-D-glucodyranose. It is shown that a change from the chair to the boat conformation has a strong influence on the calculated Raman optical activity intensities," researchers in Zurich, Switzerland report.
"Similar results are found for different rotamers of this molecule. In order to investigate solvent effects, we perform calculations with and without the continuum model COSMO. In addition, explicit solvation with water molecules is investigated, and is shown to significantly affect the calculated Raman optical activity spectrum," wrote S. Luber and ...