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- W2070533136 abstract "Thermal rate constants have been calculated for the titled reaction for total angular momentum J > 0 using the quantum flux correlation function methodology of Thompson and Miller [Thompson, W. H.; Miller, W. H. J. Chem. Phys. 1995, 102, 7409]. This generalizes earlier work by two of us [Germann,T. C.; Miller, W. H. J. Phys. Chem. A 1997, 101, 6358] for J = 0. A helicity conserving approximation (HCA) is used for the present J > 0 calculations, and it and other approximations for treating J > 0 are discussed and compared. The results show that for this reaction the much simpler J-shifting approximation (JSA) is reasonably accurate (to 10−20% in the rate constants), provided the appropriate choice is made for the reference geometry in this approach." @default.
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- W2070533136 date "1998-05-01" @default.
- W2070533136 modified "2023-09-27" @default.
- W2070533136 title "Quantum Mechanical Rate Constants for O + OH ⇌ H + O<sub>2</sub> for Total Angular Momentum <i>J</i> > 0" @default.
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- W2070533136 doi "https://doi.org/10.1021/jp980872b" @default.
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