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C 2 H 7 O + Potential Surface and Ion−Molecule Association between H 3 O + and C 2 H 4

✍ Scribed by Fairley, David A.; Scott, Graham B. I.; Freeman, Colin G.; Maclagan, Robert G. A. R.; McEwan, Murray J.

Book ID
125977502
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
152 KB
Volume
101
Category
Article
ISSN
1089-5639

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New high-level quantum chemical calculations have been undertaken to understand the rates and mechanisms of the reactive and associative channels for the reactants C2H2(+) + H2. The reactive channel, which produces C2H3(+) + H, has been shown to be slightly endothermic, confirming earlier calculatio