๐”– Bobbio Scriptorium
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Molecular orbital study of interactions of single transition metal atoms with C2H2 and C2H4

โœ Scribed by Hiroyuki Itoh; A.Barry Kunz


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
332 KB
Volume
66
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


Theoretical study of the C๎—ธH bond dissoc
โœ Charles W. Bauschlicher Jr.; Stephen R. Langhoff ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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.

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Rate constants for the reactions of atomic oxygen ( 0 3 P ) with C&3F, C&IaCl,C@3Br, 1, l-CzHzFz, and I ,2-C&IzFz have been measured at 307' K using a discharge-flow system coupled to a mass spectrometer. The rate constants for these reactions are (in units of 1011cm3mole-1s-1)2.63 &0.38,5.22 =tO0.2