Gas Phase Molecular Dynamics

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The goal of this research is the understanding of elementary chemical and physical processes important in the combustion of fossil fuels. Interest centers on reactions involving short-lived chemical intermediates and their properties. High-resolution high-sensitivity laser absorption methods are augmented by high temperature flow-tube reaction kinetics studies with mass spectrometric sampling. These experiments provide information on the energy levels, structures and reactivity of molecular flee radical species and, in turn, provide new tools for the study of energy flow and chemical bond cleavage in the radicals in chemical systems. The experimental work is supported by theoretical and computational work using time-dependent ... continued below

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4 Pages

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Hall, G.E.; Prrese, J.M.; Sears, T.J. & Weston, R.E. May 21, 1999.

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Description

The goal of this research is the understanding of elementary chemical and physical processes important in the combustion of fossil fuels. Interest centers on reactions involving short-lived chemical intermediates and their properties. High-resolution high-sensitivity laser absorption methods are augmented by high temperature flow-tube reaction kinetics studies with mass spectrometric sampling. These experiments provide information on the energy levels, structures and reactivity of molecular flee radical species and, in turn, provide new tools for the study of energy flow and chemical bond cleavage in the radicals in chemical systems. The experimental work is supported by theoretical and computational work using time-dependent quantum wavepacket calculations that provide insights into energy flow between the vibrational modes of the molecule.

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4 Pages

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  • DOE Combustion Research Contractors Meeting, Lake Tahoe, CA, June 9-12

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  • Other: DE00007677
  • Report No.: BNL-66419
  • Grant Number: AC02-98CH10886
  • Office of Scientific & Technical Information Report Number: 7677
  • Archival Resource Key: ark:/67531/metadc717827

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Office of Scientific & Technical Information Technical Reports

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Creation Date

  • May 21, 1999

Added to The UNT Digital Library

  • Sept. 29, 2015, 5:31 a.m.

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  • Nov. 10, 2015, 1:55 p.m.

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Hall, G.E.; Prrese, J.M.; Sears, T.J. & Weston, R.E. Gas Phase Molecular Dynamics, article, May 21, 1999; Upton, New York. (https://digital.library.unt.edu/ark:/67531/metadc717827/: accessed May 25, 2019), University of North Texas Libraries, Digital Library, https://digital.library.unt.edu; crediting UNT Libraries Government Documents Department.