gNMR simulated 1H and proton-coupled 13C NMR spectra of substituted 3-nitropyridines. GIAO/DFT calculated values of proton and carbon chemical shifts and coupling constants
✍ Scribed by Alan R. Katritzky; Novruz G. Akhmedov; Alâattin Güven; Jacek Doskocz; Rena G. Akhmedova; Suman Majumder; C. Dennis Hall
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 781 KB
- Volume
- 787
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Reliability of calculated (1)H and (13)C NMR chemical shifts for various classes of organic compounds obtained with gauge-invariant atomic orbital (GIAO) approach has been studied at the PBE/3ζ level (as implemented in PRIRODA code) using linear regression analysis with experimental data. Empirical
## Abstract Because of experimental and theoretical interest in long‐range ^1^H^19^F and ^13^C^19^F coupling constants between proximate atoms, a series of __N__‐alkylfluoroquinolinium compounds was synthesized and the NMR parameters were accurately measured. By means of spin tickling and selecti