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CNDO/2 calculations on the thiocarbonyl stretching frequencies in thioformaldehyde and its derivatives

✍ Scribed by H.S. Randhawa


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
134 KB
Volume
56
Category
Article
ISSN
0022-2860

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Methanol-pyridine derivatives hydrogen b
✍ J.P. Seguin; R. Uzan; J.P. Doucet πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science βš– 677 KB

The electronic population localized on the nitrogen atom and the energy of the highest occupied molecular orbitals for 17 pyridine derivatives have been calculated using the CNDCl/Z method. We have measured the weakening of OH stretching of methanol associated to these pyridines. There is no correla