ausblenden:
Schlagwörter:
ab initio calculations;
dispersion interactions;
intermolecular interactions;
molecular crystals;
polymorphism
Zusammenfassung:
Thumbnail image of graphical abstract
Molecular crystals: The structures and relative energies of glycine polymorphs are determined using dispersion corrections to PBE and PBEh density functionals. The picture shows a potential-energy surface for the a-b plane of γ-glycine obtained with density functional theory including many-body dispersion interactions.
