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A Quantum State-Resolved Insertion Reaction: O(1D) + H2(J = 0) rightarrow OH(2∏, v, N) + H(2S)

✍ Scribed by Liu, X.


Book ID
121014789
Publisher
American Association for the Advancement of Science
Year
2000
Tongue
English
Weight
631 KB
Volume
289
Category
Article
ISSN
0036-8075

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Electronic structure of cations X OH3.0.
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RHF(UHF)+MP2 and CASSCF calculations of potential energy surfaces' sections of cations X-OH + 2 (X = C, N, O) and corresponding neutral particles are performed. It is shown that all cations should be relatively stable both with respect to X-O bond breaking and intramolecular rearrangements. Reaction