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Molecular 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

CODATA values of the fundamental constants

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

Precision Measurement Grants Program

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

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

Molecular spectroscopy

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

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