Investigation of C–H…OC and N–H…OC hydrogen-bonding interactions in crystalline thymine by DFT calculations of O-17, N-14 and H-2 NQR parameters
✍ Scribed by Mahmoud Mirzaei; Nasser L. Hadipour; Kamran Ahmadi
- Book ID
- 108074392
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 193 KB
- Volume
- 125
- Category
- Article
- ISSN
- 0301-4622
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📜 SIMILAR VOLUMES
## Abstract According to the ^1^H, ^13^C and ^15^N NMR spectroscopic data and DFT calculations, the __E__‐isomer of 1‐vinylpyrrole‐2‐carbaldehyde adopts preferable conformation with the __anti__‐orientation of the vinyl group relative to the carbaldehyde oxime group and with the __syn__‐arrangement
## Abstract The ^1^H, ^13^C and ^15^N NMR studies have shown that the __E__ and __Z__ isomers of pyrrole‐2‐carbaldehyde oxime adopt preferable conformation with the __syn__ orientation of the oxime group with respect to the pyrrole ring. The __syn__ conformation of __E__ and __Z__ isomers of pyrrol