14N nuclear quadrupole coupling constants in imidazole
β Scribed by J. Koo; Y.-N. Hsieh
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 424 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
hIi E&C 5% nuclear quadrupoJ? resonances in imidazole were observed. U&g deuterafed samples, the EQR of the deuterium in P&-C bond and the first unamb~~ous ideu~ication of t.be quadrupole couplkg constants at a bi-coordinate N site were cbtaiaed.
π SIMILAR VOLUMES
Using the technique of nuclear doible ;x?mnane wias&n mking by !ev& crossing, tie nuclear quadrupole r~SO~;ll;~ of 14N has been msnsurcd in L-histidine, D-L-histidine. L-histidinz hydrochloride monohydrate, sodium UDXZIE?~~ and urocmic acid at 77 K. The nuclear quadrupofe resonamz of both 14N and 2E
## Abstract Density functional theory investigation of ^14^N nuclear quadrupole coupling constants (NQCC) for HMX polymorphs was performed. During the calculation of NQCC and asymmetry parameter (__Ξ·__) of __Ξ²__βHMX, single molecule model is found to be worse than cluster model. The calculated resu