GAS-PHASE MOLECULAR DYNAMICS: VIBRATIONAL DYNAMICS OF POLYATOMIC MOLECULES

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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 and properties of short-lived chemical intermediates. 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 free radical species and, in turn, provide new tools for the study of energy flow and chemical bond cleavage in radicals involved in chemical systems. The experimental work is supported by theoretical studies using time-dependent quantum wavepacket calculations, which provide ... continued below

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4 pages

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MUCKERMAN,J.T. June 9, 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 and properties of short-lived chemical intermediates. 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 free radical species and, in turn, provide new tools for the study of energy flow and chemical bond cleavage in radicals involved in chemical systems. The experimental work is supported by theoretical studies using time-dependent quantum wavepacket calculations, which provide insight into energy flow among the vibrational modes of polyatomic molecules and interference effects in multiple-surface dynamics.

Physical Description

4 pages

Notes

OSTI as DE00758992

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  • DOE COMBUSTION RESEARCH CONTRACTORS MEETING, LAKE TAHOE, CA (US), 06/09/1999--06/12/1999

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  • Report No.: BNL--66418
  • Report No.: KC030102
  • Grant Number: AC02-98CH10886
  • Office of Scientific & Technical Information Report Number: 758992
  • Archival Resource Key: ark:/67531/metadc707113

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  • June 9, 1999

Added to The UNT Digital Library

  • Sept. 12, 2015, 6:31 a.m.

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  • Nov. 9, 2015, 12:21 p.m.

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MUCKERMAN,J.T. GAS-PHASE MOLECULAR DYNAMICS: VIBRATIONAL DYNAMICS OF POLYATOMIC MOLECULES, article, June 9, 1999; Upton, New York. (digital.library.unt.edu/ark:/67531/metadc707113/: accessed August 19, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.