Inaccurate conformational energies still hinder crystal structure prediction in flexible organic molecules

C Greenwell, GJO Beran - Crystal Growth & Design, 2020 - ACS Publications
Crystal structure prediction driven by density functional theory has become an increasingly
useful tool for the pharmaceutical industry and others interested in understanding and …
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[PDF] nsf.gov

[PDF][PDF] Inaccurate Conformational Energies Still Hinder Crystal Structure Prediction in Flexible Organic Molecules

C Greenwell, GJ Beran - Crystal Growth & Design, 2020 - par.nsf.gov
Crystal structure prediction driven by density functional theory has become an increasingly
useful tool for the pharmaceutical industry and others interested in understanding and …