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