A density functional theory derived force field for the dicyano-pyridinium methylide
โ Scribed by Y. Karzazi; G. Vergoten; G. Surpateanu
- Book ID
- 112083125
- Publisher
- John Wiley and Sons
- Year
- 1997
- Weight
- 99 KB
- Volume
- 2
- Category
- Article
- ISSN
- 1082-4928
- DOI
- 10.1002/ejtc.59
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๐ SIMILAR VOLUMES
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The vibrational wavenumbers of 4-ethylimidazole were obtained from ab initio studies based on the density functional theory approach. The assignments of the theoretical wavenumbers obtained after scaling of the internal force constants were performed by comparison with the observed Raman and infrare