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Chemistry Programs & Projects

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Nanotube Metrology
Last Updated Date: 04/16/2014

The Nanotube Metrology project is dedicated to improving the measurement methods for, and fundamental understanding of, single-wall carbon … more

NIST Standard Reference Simulation Website
Last Updated Date: 04/10/2014

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

Density Functional Tight Binding Methods
Last Updated Date: 04/04/2014

Density Functional Tight Binding (DFTB) methods have been shown to be capable of producing reliable molecular structures and energetics at a … more

Prediction of Global Warming Potential
Last Updated Date: 04/04/2014

The global warming potential (GWP) of a number of compounds used by U.S. industry is not known or poorly known. Working with the EPA, a set of … more

Reactivity of Nanoparticle Catalysts
Last Updated Date: 04/04/2014

Transition metal nanoparticle catalysts show great promise as the key enabling breakthrough for the realization of efficient and economical fuel … more

Thermodynamics of ATP in Solution
Last Updated Date: 04/04/2014

Quantum chemical calculations have proven to be a reliable tool for the prediction of thermodynamics quantities, particularly for smaller organic … more

Transient Flow Facility
Last Updated Date: 04/04/2014

Today, demonstration vehicles are refueled with hydrogen from dispensers within 3 to 5 minutes using sequential gas releases from a bank of … more

Far-infrared Spectroscopy of Biomolecules
Last Updated Date: 04/02/2014

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

Theoretical Mass Spectrometry
Last Updated Date: 04/01/2014

Mass spectrometry is an important technique in analytical chemistry, essential in areas including drug development, criminal and agricultural … more

Virtual Measurements
Last Updated Date: 04/01/2014

Compared with conventional, physical measurements, the cost of computational modeling continues to drop. This has driven many industries to … more

Test and Evaluation Protocols for ANSI/IEEE N42 Standards
Last Updated Date: 03/25/2014

The purpose of these test and evaluation protocols is to provide additional information to the published ANSI/IEEE N42 series for homeland … more

Smoke Stack Simulator
Last Updated Date: 03/11/2014

Today, inconsistencies between measured CO 2 emissions and emissions calculated from coal consumption are on the order of 10% to 20%. Either a … more

Gas properties for flow metering
Last Updated Date: 03/11/2014

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

Acoustic Techniques in Fluid Metrology
Last Updated Date: 03/11/2014

The Fluid Metrology Group leads the world in designing and using gas-filled acoustic resonators for measuring the thermodynamic temperature T , … more

Atomic Standard of Pressure
Last Updated Date: 03/11/2014

NIST scientists are developing a highly accurate primary standard for pressure in the range 2 MPa to 7 MPa based on fundamental physical … more

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