DFT calculation inputs and output, and analysis code to support the computational results in "Controlled Fluorination Reaction of Anatase to Promote Mg2+ Mobility in Rechargeable Magnesium Batteries" Ma et al. Chem. Comm. 2018.
Date made available17 Aug 2018
PublisherUniversity of Bath
Date of data production1 Jul 2018 - 15 Aug 2018

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