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Chemistry Standard Reference Data Portal

Programs and Projects
Ceramic Phase Equilibrium Data

Advanced ceramics and inorganic materials are critically enabling elements in devices and systems across many technology sectors, such as … 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

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

Molecular spectroscopy

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

Crystallographic Databases

Components and devices used in a broad spectrum of technology sectors such as health care, communications, energy and electronics are manufactured … more

Gas properties for flow metering

Flow meters that rely on measuring the pressure drop across a laminar flow element can be accurately calibrated using a benign surrogate gas (such … more

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