1H, 13C MAS NMR and DFT GIAO study of quercetin and its complex with Al(III) in solid state
β Scribed by Anife Ahmedova; Katarzyna Paradowska; Iwona Wawer
- Book ID
- 113718611
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 993 KB
- Volume
- 110
- Category
- Article
- ISSN
- 0162-0134
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π SIMILAR VOLUMES
## Abstract The ^1^H, ^13^C and ^15^N absolute shieldings of 13 amines were calculated at the GIAO/B3LYP/6β311++G\*\* level. For some compounds (ethylamine, piperidine and 1βmethylpiperidine) two conformations were calculated. The ^13^C and ^15^N data could be correctly correlated with experimental
## Abstract A series of arylβsubstituted enaminoketones and their thio analogues in CDCl~3~ solution and in the solid state were studied by the use of highβresolution ^1^H and ^13^C as well as ^13^C cross polarization magic angle spinning (CP MAS) NMR spectra in combination with gauge including ato