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Advances in Physical Chemistry
Table of Contents
Special Issues
Advances in Physical Chemistry
/
2009
/
Article
/
Tab 1
/
Research Article
Comparison of the Molecular Dynamics of
in the Solid and Liquid Phases
Table 1
Average values for the calculated tensor components, chemical shift anisotropies, and the chemical shift tensor (CST) orientation of carbons in
.
Carbon
(ppm)
(ppm)
(ppm)
(ppm)
(degrees)
1
−33.56
−0.97
162.06
179.32
13.94
2
−24.35
0.04
164.65
176.81
51.99
3
−32.24
3.04
165.95
180.55
62.15
4
−22.30
−2.62
167.19
179.65
72.88
5
−8.62
11.56
181.77
180.30
90.00