Maja K. Thomsen

TL;DR: A uniform and comprehensive picture of NTE in MOF-5 has been drawn, and it is provided direct evidence that the main contributor to NTE is translational transverse motion of the aromatic ring, which can be dampened by applying a gas pressure to the sample.

TL;DR: High-resolution single-crystal X-ray diffraction data is used to generate multipole models of the electron density in these two complexes, which clearly show that the iron d z2 orbital is more populated in 1 than in 2.

TL;DR: Laplacian maps clearly show local valence shell charge concentration (VSCC) in the electron density along the bisector of the equatorial Cr-N bonds and integration over the atomic basins indicates that Cr2 has smaller atomic charge and volume than Cr1 and Cr3.

TL;DR: In this article, the energy landscape and its evolution with pressure have been studied for two hydroquinone clathrates in combination with the apohost β-hydroquinone structure.

TL;DR: This study illustrates a need for accurate intermolecular energies when analyzing self-assembly structures and supramolecular aggregates and shows that the high-pressure phase forms a more stable host network at the expense of less-stable host-guest interactions.