Actions for GAS-PHASE MOLECULAR DYNAMICS [electronic resource] : VIBRATIONAL DYNAMICS OF POLYATOMIC MOLECULES

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GAS-PHASE MOLECULAR DYNAMICS [electronic resource] : VIBRATIONAL DYNAMICS OF POLYATOMIC MOLECULES

Published
Washington, D.C. : United States. Dept. of Energy. Office of Energy Research, 1999.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
Physical Description
4 pages : digital, PDF file
Additional Creators
Brookhaven National Laboratory, United States. Department of Energy. Office of Energy Research, and United States. Department of Energy. Office of Scientific and Technical Information
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Summary
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.
Report Numbers
E 1.99:bnl--66418
E 1.99: kc030102
kc030102
bnl--66418
Subject(s)
Other Subject(s)
Note
Published through SciTech Connect.
06/09/1999.
"bnl--66418"
" kc030102"
"KC030102"
DOE COMBUSTION RESEARCH CONTRACTORS MEETING, LAKE TAHOE, CA (US), 06/09/1999--06/12/1999.
MUCKERMAN,J.T.
Funding Information
AC02-98CH10886
C06
View MARC record | catkey: 14394052