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Chemical Physics Portal

Programs and Projects
Affect of Partial Charge Calculation Method on Adsorption Thermodynamics

In classical molecular simulations, electrostatic contributions to the potential energy are typically accounted for by assigning partial charges … more

NIST Standard Reference Simulation Website

The Standard Reference Simulation Website is an ongoing project whose aim is to provide well-documented simulation results for a variety of … more

Vacuum-Ultraviolet Optical Properties of Cryogenic Water Ices

The optical properties of cryogenic water ices in the vacuum-ultraviolet spectral range are studied. more

Calibration of the Extreme UV/X-ray Irradiance Sensor (EXIS) for the Geostationary Operations Environment Satellite R-Series Program (GOES-R)

Calibrations of the The Extreme ultraviolet/X-ray Irradiance Sensor (EXIS), which will be installed on the Geostationary Operations Environment … more

Far-infrared Spectroscopy of Biomolecules

Far-infrared (or terahertz/THz, ca. 25 to 300 micron wavelength) femtosecond pulsed laser and Fourier-transform infrared methods are employed to … more

Use of a laser-driven plasma source in ultraviolet-detector calibrations

The National Institute of Standards and Technology operates two spectral comparator facilities, both of which are used to provide detector … more

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