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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2004014872> ?p ?o ?g. }

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• W2004014872 abstract "The exerogicity of the reaction F+H2O→HF+OH is sufficient to give HF(v′?1); however, arrested relaxation infrared chemiluminescence experiments on this system show emission from HF(v′?3). The higher vibrational levels are populated by the secondary reaction F(2P)+OH(2Π)→HF(1Σ+)+O(3P). By a combination of SCF–CI calculations and a rotated Morse curve fitting procedure, it is shown that barrier heights on triplet surfaces which correlate reactants and products of the secondary reaction are too high to provide a reaction path. Instead, the reaction proceeds on a singlet surface to produce an HOF complex, followed by rearrangement and a nonadiabatic transition to the triplet surface. An exit-channel barrier results from the surface crossing. The chemiluminescence data are shown to be in accord with this reaction mechanism." @default.
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• W2004014872 date "1981-08-01" @default.
• W2004014872 modified "2023-10-17" @default.
• W2004014872 title "Direct vs complex reaction dynamics for F+OH→HF+O" @default.
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• W2004014872 doi "https://doi.org/10.1063/1.442167" @default.
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