Periodic ab initio calculations for orthoboric acid were performed. Geometries of a monolayer and a three-dimensional molecular crystal were optimized. Intermolecular interactions within the layer are found to be about three times stronger than the interaction between layers. Layer buckling is shown to be caused by interlayer interactions. Deformation density maps are given and changes in the density distribution induced by intermolecular interactions are discussed.
No takes yet. Share an insight, caveat, or question.
Zapol et al. (2000) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: