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Theoretical chemistry & modeling

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Projects and Programs

Theoretical Mass Spectrometry

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

Publications

Topology, Landscapes, and Biomolecular Energy Transport

Author(s)
Justin E. Elenewski, Kirill Velizhanin, Michael P. Zwolak
While ubiquitous, energy redistribution remains a poorly understood facet of the nonequilibrium thermodynamics of biomolecules. At the molecular level, finite

Thermophysical Properties of Polyol Ester Lubricants

Author(s)
Thomas J. Bruno, Tara J. Fortin, Marcia L. Huber, Arno D. Laesecke, Eric W. Lemmon, Elisabeth Mansfield, Mark O. McLinden, Stephanie L. Outcalt, Richard A. Perkins, Kimberly N. Urness, Jason A. Widegren
This report summarizes the results of work performed for the Naval Air Warfare Center Aircraft Division by the National Institute of Standards and Technology