Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5384925 | Chemical Physics Letters | 2010 | 5 Pages |
Abstract
⺠The 3He chemical shifts were calculated for Hen@C84 (n = 1, 2) fullerenes. ⺠Accuracy within 1 ppm could be reached using DFT methods. ⺠Additional criteria in the interpretation of 3He NMR were discussed. ⺠Endohedral 3He shifts were predicted for He@C846- anions.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Petr Å tÄpánek, Petr BouÅ, Michal Straka,