Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5387650 | Chemical Physics Letters | 2008 | 8 Pages |
Abstract
A theoretical study of solvent effects on the nitrogen NMR shielding and nuclear quadrupole coupling constants in the series of 1-methyltriazoles is presented. Fairly accurate predictions are found for the solvent shifts as compared to experimental data.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Andreas Møgelhøj, Kestutis Aidas, Kurt V. Mikkelsen, Jacob Kongsted,