𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Microwave spectra of isotopic thiazoles. Molecular structure and 14N quadrupole coupling constants of thiazole

✍ Scribed by Lise Nygaard; Erik Asmussen; Jens H. Høg; R.C. Maheshwari; C.H. Nielsen; Ivan B. Petersen; John Rastrup-Andersen; G.O. Sørensen


Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
712 KB
Volume
8
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Calculation of 14N and 33S Quadrupole Co
✍ William C Bailey 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 80 KB

14 N and 33 S nuclear quadrupole coupling constants have been calculated for optimized molecular structures of thiazole. For nitrogen, the B3PW91/6-311+G (df, pd) model was used to calculate of the electric field gradients, and for sulfur, the B3LYP/6-311G (3df, 3p) model. The best results are obtai