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- W2000811141 abstract "The transition state structure and associated energetics are investigated for the reaction O(3P+HCl→OH+Cl, using high quality ab initio electronic structure theory. All levels of theory in which correlation corrections are included predict the transition state to be bent, in agreement with experimental observations that the product OH is rotationally hot. At the highest level of theory, CCSDT-1 with the MC-311G(2df, 2pd) basis set, the forward and reverse classical barrier heights are predicted to be 11 and 9 kcal/mol, respectively." @default.
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- W2000811141 date "1989-06-01" @default.
- W2000811141 modified "2023-09-27" @default.
- W2000811141 title "The transition state and barrier heights for the reaction O(3P) +HCl→OH+Cl" @default.
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- W2000811141 doi "https://doi.org/10.1016/0009-2614(89)87319-1" @default.
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