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Journal of Chemical Theory and Computation|September 7, 2018
Dispersion-Corrected DFT Struggles with Predicting Three-Body Interaction EnergiesWojciech Jankiewicz, Rafał Podeszwa, Henryk A Witek
The Journal of Chemical Physics|June 24, 2019
Correcting long-range electrostatics in DFTBRafał Podeszwa, Wojciech Jankiewicz, Magdalena Krzuś, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 4, 2016
Report on the sixth blind test of organic crystal structure prediction methodsAnthony M Reilly, Richard I Cooper, Claire S Adjiman, et al.
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