Calculation of the Dependence of Homo- and Heteronuclear 3J and 2J Scalar Couplings for the Determination of the 2′-Hydroxy Conformation in RNA
✍ Scribed by Jörg Fohrer; Uwe Reinscheid; Mirko Hennig; Teresa Carlomagno
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 177 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0044-8249
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📜 SIMILAR VOLUMES
A study is presented of the structural dependencies for scalar, interproton J-coupling across two bonds in a series of substituted methanes. The coupled perturbed, density functional theory method with a B3PW91 functional and aug-cc-pVTZ-J basis sets is used to examine coupling between geminal proto
## Abstract The proton‐proton spin‐spin couplings of 2‐chlorobenzaldehyde were determined accurately for acetone‐__d__~6~ and CD~3~CN solutions at several temperatures. The sign and temperature dependence of the __para__‐benzylic six‐bond coupling, ^6^__J__~α4~, was also obtained, although the obse