HIGHLIGHTS
- who: Shiyue Yang from the SchoolUniversity of have published the research work: Global analysis of the energy landscapes of molecular crystal structures by applying the threshold algorithm, in the Journal: (JOURNAL) of 21/Dec/2021
- what: The authors present the implementation of the threshold algorithm which is based on Monte Carlo sampling of the energy landscape24 to molecular crystals using an accurate force field with an atomic multipole description of electrostatics. The authors investigate its application to more complex molecular organic crystals which are characterized by a balance of several types of intermolecular interactions and . . .
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