𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Calculation of NMR Chemical Shifts and Spin−Spin Coupling Constants in the Monosaccharide Methyl-β- d -xylopyranoside Using a Density Functional Theory Approach †

✍ Scribed by Hricovíni, M.; Malkina, O. L.; Bízik, F.; Nagy, L. Turi; Malkin, V. G.


Book ID
123610929
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
219 KB
Volume
101
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


The performance of hybrid density functi
✍ Ola B. Lutnæs; Torgeir A. Ruden; Trygve Helgaker 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 164 KB 👁 1 views

Density functional theory, in particular, with the Becke-3-parameter-Lee-Yang-Parr (B3LYP) hybrid functional, has been shown to be a promising method for the calculation of indirect nuclear spin-spin coupling constants. However, no systematic investigation has so far been undertaken to evaluate the

Indirect nuclear spin–spin coupling cons
✍ Bernd Wrackmeyer; Armin Berndt 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 182 KB 👁 1 views

## Abstract The non‐classical 1,2‐diboretane‐3‐ylidene **1a** was studied by ^13^C and ^29^Si NMR spectroscopy in order to obtain coupling constants ^1^__J__(^13^C,^11^B) and ^1^__J__(^29^Si,^13^C). The magnitudes of ^1^__J__(^13^C,^11^B) were deduced from linewidth measurements in low‐temperature