Precise and accurate structural information on hydrogen atoms is crucial to the study of
energies of interactions important for crystal engineering, materials science, medicine, and …

Rubrene is one of the most studied organic semiconductors to date due to its high charge
carrier mobility which makes it a potentially applicable compound in modern electronic …

Hirshfeld atom refinement (HAR) is a method which determines structural parameters from
single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made …

A concise summary is provided on the basic aspects of charge density (CD) analysis and an
overview of the charge density research and developments over the last 10 years. A glimpse …

Non‐covalent interactions (NCI) define the rules underlying crystallisation, self‐assembly
and drug–receptor docking processes. A novel NCI descriptor, based on the reduced …

X-ray diffraction experiments contain much more information than the information usually
exploited for structure determination. In quantum crystallography, quantum mechanical …

The validity of the newly proposed 'carbon bonding', an interaction where a carbon atom
acts as an electrophilic site towards a variety of nucleophiles, has been investigated in the …

Herein, we experimentally obtained and studied the inner-crystal scalar potential fields and
the associated vector force fields of static and kinetic nature in picolinic acid N-oxide (PANO) …

Experimental charge densities for (C5H5) Mn (CO) 3 (2),(η6-C6H6) Cr (CO) 3 (3), and (E)-
{(η5-C5H4) CF CF (η5-C5H4)}(η5-C5H5) 2Fe2 (4) have been obtained by multipole …

ELMAM2 is a generalized and improved library of experimentally derived multipolar atom
types. The previously published ELMAM database is restricted mostly to protein atoms. The …