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Chemistry Standard Reference Data 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

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

Tandem Mass Spectral Library

The National Institute of Standards and Technology is responsible for an evaluated, tandem mass spectral library as an extension of the … more

NIST Chemistry Webbook

The NIST Chemistry WebBook is a site on the Internet ( http://webbook.nist.gov/ ) that provides convenient access to a variety of physical and … more

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