Off-the-shelf DFT-DISPersion methods: Are they now “on-trend” for organic molecular crystals?

Dawn Geatches, Ian Rosbottom, Richard L. Marchese Robinson, Peter Byrne, Phil Hasnip, Matt I. J. Probert, Dominik Jochym, Andrew Maloney, Kevin J. Roberts
  • The Journal of Chemical Physics, July 2019, American Institute of Physics
  • DOI: 10.1063/1.5108829

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The following have contributed to this page: Dr Philip J Hasnip, Dr Matthew I J Probert, and Dawn Geatches