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Figure 6
Workflow diagram for the calculation of AIMD-averaged X-ray spectra using NWChem.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 26| Part 5| September 2019| Pages 1694-1704
https://doi.org/10.1107/S1600577519007495
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