Vibrational spectroscopy and ab initio MO study of the molecular structure and vibrational spectra of α- and γ-pyrones
The molecular structures and vibrational spectra of the monomeric forms of α- and γ-pyrones were investigated by ab initio MO calculations, undertaken at the HF/6-31G∗ level of theory, and vibrational spectroscopy, including matrix-isolation FTIR spectroscopy. A complete assignment of the vibrationa...
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| Other Authors: | , |
| Format: | article |
| Language: | eng |
| Published: |
2001
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| Online Access: | http://hdl.handle.net/10316/17711 |
| Country: | Portugal |
| Oai: | oai:estudogeral.sib.uc.pt:10316/17711 |