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@Article{AlbernazSilvBarrCorr:2019:ThRaCo,
               author = "Albernaz, Alessandra F. and Silva, Washington B. da and Barreto, 
                         Patr{\'{\i}}cia Regina Pereira and Correa, Eberth",
          affiliation = "{Universidade de Bras{\'{\i}}lia (UnB)} and Instituto Federal de 
                         Educa{\c{c}}{\~a}o, Ci{\^e}ncia e Tecnologia de 
                         Bras{\'{\i}}lia (IFB) and {Instituto Nacional de Pesquisas 
                         Espaciais (INPE)} and {Universidade de Bras{\'{\i}}lia (UnB)}",
                title = "Thermal rate constant for the C(\𝟑P) + 
                         OH(X\𝟐\𝚷) \→ CO(X\𝟏\𝚺) 
                         + H(\𝟐S) reaction using stochastic energy grained master 
                         equation method",
              journal = "International Journal of Chemical Kinetics",
                 year = "2019",
               volume = "51",
               number = "8",
                pages = "590--601",
             keywords = "C+OH reaction, HCO and HOC radicals, thermal rate constant, master 
                         equation.",
             abstract = "In the present work, the kinetic mechanism of the reaction is 
                         studied. The rate constants were determined using the Master 
                         Equation Solver for Multi-Energy Well Reactions (MESMER). The 
                         master equation modeling was also employed to examine the pressure 
                         dependence for each pathway involved. The theoretical analysis 
                         shows that the overall rate coefficient is practically independent 
                         of pressure up to 100 Torr for the temperature range 125-500 K. 
                         The unusual dependence of the overall rate constant with 
                         temperature was fit with the \𝑑-Arrhenius expression 
                         \𝑘(\𝑇 ) = \𝐴[1 \− 
                         \𝑑\⋅\𝐸0 \𝑅\𝑇 ] 1 
                         \𝑑 , where \𝐴 = 5.21  10\−11 
                         cm3molecule\−1s\−1, \𝑑 = 2.12, and 
                         \𝐸0 = \−0.749 kJ\⋅mol\−1, for 
                         125\≤ T \≤ 500 K. The thermal rate constant results 
                         are in relatively good agreement with other theoretical studies.",
                  doi = "10.1002/kin.21279",
                  url = "http://dx.doi.org/10.1002/kin.21279",
                 issn = "0538-8066",
             language = "en",
           targetfile = 
                         Albernaz_et_al-2019-International_Journal_of_Chemical_Kinetics.pdf",
        urlaccessdate = "05 dez. 2020"
}


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