Assessing the performance of density functional theory in optimizing molecular crystal structure parameters
International Union of Crystallography, 2014
Acta Crystallographica Section B
Volume 70, Issue 2, pages 259–267, April 2014
How to Cite
Binns, J., Healy, M. R., Parsons, S. and Morrison, C. A. (2014), Assessing the performance of density functional theory in optimizing molecular crystal structure parameters. Acta Crystallographica Section B, 70: 259–267. doi: 10.1107/S205252061303268X
Tables detailing compound identification and computational details, along with numerical data for all graphs presented in the main text. DOI: 10.1107/S205252061303268X/gp5073sup1.pdf
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