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Molecular Physics Programs & Projects

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NIST Standard Reference Simulation Website
Last Updated Date: 10/02/2015

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

CODATA values of the fundamental constants
Last Updated Date: 09/24/2015

Every four years, the Committee on Data for Science and Technology (CODATA) issues recommended values of the fundamental physical constants. The … more

Affect of Partial Charge Calculation Method on Adsorption Thermodynamics
Last Updated Date: 09/15/2015

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

Precision Measurement Grants Program
Last Updated Date: 08/25/2015

Since 1970, the National Institute of Standards and Technology (NIST) has awarded Precision Measurement Grants to faculty members of U.S. … more

Far-infrared Spectroscopy of Biomolecules
Last Updated Date: 08/10/2015

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

Molecular spectroscopy
Last Updated Date: 01/13/2015

The molecular spectroscopy sub-group carries out vibrational and rotational spectroscopic analyses on experimental data obtained primarily in the … more

Molecular Orbital Structure of Energetic Nitrogen Compounds from X-Ray Emission Spectroscopy
Last Updated Date: 10/02/2012

When chemical compounds of low-Z elements are excited by x-rays, the ionized core states are filled from the valence band. The molecular orbital … more

Spectroscopic Measurements of Atmospheric Gases for Monitoring Greenhouse Gases
Last Updated Date: 10/01/2012

Climate scientists are developing a new generation of spectrometers for the NASA-sponsored inventory of atmospheric greenhouse gases, most notably … more

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