𝔖 Bobbio Scriptorium
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A theoretical study of internal rotation in H2BOBH2 and H2BNBH2–

✍ Scribed by Ruslan M. Minyaev; Evgenii A. Lepin


Book ID
111729929
Publisher
Royal Society of Chemistry
Year
1997
Tongue
English
Weight
254 KB
Volume
7
Category
Article
ISSN
0959-9436

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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.