| Autor: |
El'kin, P., Pulin, V., Kosterina, E. |
| Předmět: |
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| Zdroj: |
Journal of Applied Spectroscopy; Jul2005, Vol. 72 Issue 4, p483-487, 5p |
| Abstrakt: |
Using the DFT/B3LYP method with the basis sets 6-31G*(**), we analyzed the vibrational spectra of nitrobenzene and nitropyridines for free molecules and their solutions in water, ethanol, and benzene. The influence of a solvent on the behavior of the characteristic spectral parameters of nitrobenzene is revealed, and the assignment of vibrations for nitropyridines is given. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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