Theoretical study of the CH bond dissoc
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Charles W. Bauschlicher Jr.; Stephen R. Langhoff
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Article
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1991
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Elsevier Science
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English
⚖ 554 KB
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.