Hydrogen bonding interactions are ubiquitous across the biochemical and chemical
sciences, and are of particular interest to supramolecular chemists. They have been used to …

The emerging field of 3D electron diffraction (3D ED) opens new opportunities for structure
determination from sub-micrometre-sized crystals. Although the foundations of this …

Authors of a paper that includes a new crystal-structure determination are expected to not
only report the structural results of interest and their interpretation, but are also expected to …

The relationship between the structure and the properties of a drug or material is a key
concept of chemistry. Knowledge of the three-dimensional structure is considered to be of …

Hydrogen positions in hydrides play a key role in hydrogen storage materials and high-
temperature superconductors. Our recently published study of five crystal structures of …

The coupling of the crystallographic refinement technique Hirshfeld atom refinement (HAR)
with the recently constructed libraries of extremely localized molecular orbitals (ELMOs) …

In this review article, we report on the recent progresses in the field of quantum
crystallography that has witnessed a massive increase of production coupled with a …

The positions of hydrogen atoms in molecules are fundamental in many aspects of
chemistry. Nevertheless, most molecular structures are obtained from refinements of X-ray …

The combination of a phase-modulated (PM) saturation pulse and symmetry-based dipolar
recoupling into a rotational-echo saturation-pulse double-resonance (RESPDOR) sequence …

In X-ray constrained wavefunction (XCW) fitting, external information, such as electron
correlation and polarization, is included into a single-determinantal isolated-molecule …