Interest in molecular crystals has grown thanks to their relevance to pharmaceuticals,
organic semiconductor materials, foods, and many other applications. Electronic structure …

The rapid development of terahertz time-domain spectroscopy (THz-TDS) as a highly
versatile analytical tool for the characterisation of pharmaceutical materials has drawn …

A computational study of 1061 experimentally determined crystal structures of 508
polymorphic organic molecules has been performed with state-of-the-art lattice energy …

The terahertz region of the electromagnetic spectrum spans the frequency range between
the infrared and the microwave. Traditionally the exploitation of this spectral region has been …

Terahertz spectroscopy is only now beginning to make its transition from initial development
by physicists and engineers to broader use by chemists, materials scientists and biologists …

Crystal structure prediction for organic molecules requires both the fast assessment of
thousands to millions of crystal structures and the greatest possible accuracy in their relative …

Crystal structure prediction (CSP) studies are not limited to being a search for the most
thermodynamically stable crystal structure, but play a valuable role in understanding …

Terahertz spectroscopy has proved to be an essential tool for the study of condensed phase
materials. Terahertz spectroscopy probes the low-frequency vibrational dynamics of atoms …

With the ongoing proliferation of terahertz time-domain instrumentation from semiconductor
physics into applied spectroscopy over the past decade, measurements at terahertz …

Terahertz and PFG-NMR techniques are used to explore transitions in the structuring of
binary alcohol/water mixtures. Three critical alcohol mole fractions (x 1, x 2, x 3) are …