Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
6877572 | Journal of Molecular Graphics and Modelling | 2015 | 12 Pages |
Abstract
Inspired with the recent experimental NMR studies on HD and H2 molecules confined inside C60 fullerene we systematically investigated the sensitivity of 1H nuclear magnetic shielding in H2 and indirect spin-spin coupling constant 1JHD in HD molecule in the gas phase, in the presence of benzene and inside fullerenes of different size.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Marzena Jankowska, Teobald Kupka, Leszek StobiÅski,