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- W2013305093 abstract "Abstract The temperature and pressure dependence of the reaction of OH + CO has been modeled using the (energy‐resolved) master equation and RRKM theory. These calculations are based on the coupled‐cluster potential energy surface of Yu and co‐workers (Chem Phys Lett 349, 547–554, 2001). As is well known, this reaction shows a strong non‐Arrhenius behavior at moderate and low temperatures because of the stabilization of the HOCO intermediate. Kinetic simulations are in excellent agreement with experiments at temperatures above 300 K, but the agreement is only modest at temperatures below 250 K. Our calculations indicate that the contribution of tunneling to the rate constant is marginal, given the small energy difference between the transition states corresponding to formation and decomposition of the HOCO intermediate. Parametric fits to the calculated rate constants are provided for modeling purposes. © 2003 Wiley Periodicals, Inc. Int J Chem Kinet 35: 464–474, 2003" @default.
- W2013305093 created "2016-06-24" @default.
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- W2013305093 date "2003-01-01" @default.
- W2013305093 modified "2023-10-10" @default.
- W2013305093 title "Temperature and pressure dependence of the reaction of OH and CO: Master equation modeling on a high-level potential energy surface" @default.
- W2013305093 cites W1523999092 @default.
- W2013305093 cites W1967269472 @default.
- W2013305093 cites W1968358712 @default.
- W2013305093 cites W1971599884 @default.
- W2013305093 cites W1971715420 @default.
- W2013305093 cites W1975423769 @default.
- W2013305093 cites W1977361938 @default.
- W2013305093 cites W1979410678 @default.
- W2013305093 cites W1979913059 @default.
- W2013305093 cites W1982523508 @default.
- W2013305093 cites W1985833918 @default.
- W2013305093 cites W1988181871 @default.
- W2013305093 cites W1988295484 @default.
- W2013305093 cites W1995865165 @default.
- W2013305093 cites W1996929902 @default.
- W2013305093 cites W2000686699 @default.
- W2013305093 cites W2000932695 @default.
- W2013305093 cites W2007645821 @default.
- W2013305093 cites W2007931478 @default.
- W2013305093 cites W2009317605 @default.
- W2013305093 cites W2010212015 @default.
- W2013305093 cites W2010722321 @default.
- W2013305093 cites W2012157756 @default.
- W2013305093 cites W2012682534 @default.
- W2013305093 cites W2012900934 @default.
- W2013305093 cites W2014770966 @default.
- W2013305093 cites W2019218236 @default.
- W2013305093 cites W2020938389 @default.
- W2013305093 cites W2021267939 @default.
- W2013305093 cites W2022431570 @default.
- W2013305093 cites W2023195017 @default.
- W2013305093 cites W2031407175 @default.
- W2013305093 cites W2032243277 @default.
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- W2013305093 cites W2037546424 @default.
- W2013305093 cites W2039495070 @default.
- W2013305093 cites W2039638231 @default.
- W2013305093 cites W2040883819 @default.
- W2013305093 cites W2043680235 @default.
- W2013305093 cites W2047318991 @default.
- W2013305093 cites W2049222798 @default.
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- W2013305093 cites W2059202471 @default.
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- W2013305093 cites W2073624539 @default.
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- W2013305093 doi "https://doi.org/10.1002/kin.10144" @default.
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