Journal of Applied Crystallography
Journal of Applied
Crystallography
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Figure 2
ADPs of benzophenone (50% probability level) determined at 300 K from (
a
) DFT+D MD simulations and (
b
) neutron diffraction. The orientation is the same as that in Fig. 1
.
JOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 46
|
Part 3
|
April 2013
|
Pages 656-662
doi:10.1107/S0021889813006225
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The IUCr is a scientific union serving the interests of crystallographers and other scientists employing crystallographic methods.