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Theoretical Analysis of the Bonding between CO and Positively Charged Atoms

✍ Scribed by Lupinetti, Anthony J.; Fau, Stefan; Frenking, Gernot; Strauss, Steven H.

Book ID
121500776
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
231 KB
Volume
101
Category
Article
ISSN
1089-5639

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Using BAC-MP4 potential-surface parameters, supplemented by an MP2 normal-mode analysis at one transition state, and statistical theoretical methods, we have computed thermal rate coefficients for the reactions, (1) Over the entire temperature range considered, 300 K < T < 3300 K, reaction (2) is