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"Evaluation of Force-Field Calculations of Lattice Energies on a Large ..."

Richard Marchese Robinson et al. (2019)

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DOI: 10.1021/ACS.JCIM.9B00601

access: closed

type: Journal Article

metadata version: 2021-10-14

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  - journals/jcisd/RobinsonGMMMRMC19
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  - https://dblp.org/rec/journals/jcisd/RobinsonGMMMRMC19
Richard Marchese Robinson, Dawn Geatches, Chris Morris, Rebecca Mackenzie, Andrew G. P. Maloney, Kevin J. Roberts, Alexandru Moldovan, Ernest Chow, Klimentina Pencheva, Dinesh Ramesh Mirpuri Vatvani:
Evaluation of Force-Field Calculations of Lattice Energies on a Large Public Dataset, Assessment of Pharmaceutical Relevance, and Comparison to Density Functional Theory. J. Chem. Inf. Model. 59(11): 4778-4792 (2019)

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