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A combined experimental and theoretical investigation of C2H2+2 electronic-state energies

✍ Scribed by S.R. Andrews; F.M. Harris; D.E. Parry

Book ID
107942732
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
728 KB
Volume
166
Category
Article
ISSN
0301-0104

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The successive C-H bond dissociation energies of CH,, &Hz. C2H4, and H&O (ketene) are determined using large basis sets and a high level of correlation treatment. For CHI, C2H2, and C2H4 the computed values are in excellent agreement with experiment. Using our results we recommend 107.9 +2.0 and 96.