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Calculation of activation energies for hydrogen-atom abstractions by radicals containing carbon triple bondsActivation energies are calculated by the bond-energy-bond-order (BEBO) and the bond-strength-bond-length (BSBL) methods for the reactions of C2H radicals with H2, CH4, and C2H6 and for the reactions of CN radicals with H2 and CH4. The BSBL technique accurately predicts the activation energies for these reactions while the BEBO method yields energies averaging 9 kcal higher than those observed. A possible reason for the disagreement is considered.
Document ID
19820034164
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Brown, R. L.
(National Bureau of Standards Washington, DC, United States)
Laufer, A. H.
(National Bureau of Standards, Center for Chemical Physics, Washington DC, United States)
Date Acquired
August 10, 2013
Publication Date
December 10, 1981
Publication Information
Publication: Journal of Physical Chemistry
Volume: 85
Subject Category
Chemistry And Materials (General)
Accession Number
82A17699
Distribution Limits
Public
Copyright
Other

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