𝔖 Bobbio Scriptorium
✦   LIBER   ✦

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


How reliable are GIAO calculations of 1H
✍ Evgeniy Yu. Pankratyev; Artur R. Tulyabaev; Leonard M. Khalilov 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 186 KB 👁 1 views

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

Proton, carbon-13 and fluorine-19 NMR st
✍ M. Barfield; S. R. Walter; K. A. Clark; G. W. Gribble; K. W. Haden; W. J. Kelly; 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 851 KB

## 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