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 …

Many technological applications depend on the response of materials to electric fields, but
available databases of such responses are limited. Here, we explore the infrared …

Heat storage materials preserving large amounts of thermal energy over long time frames
enable the storage of waste energy from thermal energy generation or excess energy …

We performed 1H and 29Si NMR and infrared measurements, and first-principles
calculations to clarify the nature of OH defects in MgSiO3 orthoenstatite. An orthoenstatite …

The growing scale of the devastation that even a single terrorist attack can cause requires
more effective methods for the detection of hazardous materials. In particular, there are no …

Ammonia is an efficient compound for hydrogen transportation. The release of hydrogen
from ammonia at the point of use is accomplished by the catalytic decomposition of …

A number of DFT programs with various combinations of pseudo-potentials and van der
Waals' dispersive corrections have been used to optimize the structure of sodium …

Attenuated total reflectance (ATR) infrared spectra were measured on a synthetic and a
natural fluorapatite sample. A modeling approach based on the computation of the Fresnel …

A novel application of terahertz time-domain spectroscopy (THz-TDS) is described for the
determination of permittivity and polarizability of organic crystals, as exemplified by …

Static and dynamic density functional calculations are reported for the four known
polymorphs of l-cysteine. Static calculations are used to explore the relative free energies …