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A Theoretical Study of BF + OH and BO + HF Reactions

Published online by Cambridge University Press:  10 February 2011

M. R. Soto
M. R. Soto*
Affiliation:
Laboratory for Computational Physics and Fluid Dynamics, Code 6410, Naval Research Laboratory, Washington, DC 20375–5344, soto@lcp.nrl.navy.mil
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Abstract

The reactions of BF + OH and BO + HF are critical reactions in the reaction mechanism of fluorine-enriched boron combustion.1 In this study, ab initio multiconfigurational methods have been used to calculate energies, optimized geometries, harmonic vibrational frequencies and zero-point energies for reactants, products and intermediates of these reactions. Results for the following reactive pathways will be discussed:

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 418: Symposium GG – Decomposition, Combustion, and Detonation Chemistry of Energetic Materials , 1995 , 181
Copyright
Copyright © Materials Research Society 1996

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References

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