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Theoretical study of the C-H bond dissociation energy of acetylene

Author
Bauschlicher, Charles W., Jr.
Published
JAN 1, 1990.
Physical Description
1 electronic document
Additional Creators
Taylor, Peter R. and Langhoff, Stephen R.
Online Version

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Summary
The authors present a theoretical study of the convergence of the C-H bond dissociation energy (D sub o) of acetylene with respect to both the one- and n-particle spaces. Their best estimate for D sub o of 130.1 plus or minus 1.0 kcal/mole is slightly below previous theoretical estimates, but substantially above the value determined using Stark anticrossing spectroscopy that is asserted to be an upper bound.
Other Subject(s)
Collection
NASA Technical Reports Server (NTRS) Collection.
Note
Document ID: 19910006752.
Accession ID: 91N16065.
NASA-CR-187858.
NAS 1.26:187858.
Terms of Use and Reproduction
No Copyright.
View MARC record | catkey: 15682967