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@InProceedings{EuclidesBarr:2019:ReRaHC,
               author = "Euclides, Henrique de Oliveira and Barreto, Patr{\'{\i}}cia 
                         Regina Pereira",
          affiliation = "{Instituto Nacional de Pesquisas Espaciais (INPE)} and {Instituto 
                         Nacional de Pesquisas Espaciais (INPE)}",
                title = "Reaction rate of HCCO(2A) via TST",
            booktitle = "Anais...",
                 year = "2019",
         organization = "Workshop em Engenharia e Tecnologia Espaciais, 10. (WETE)",
            publisher = "Instituto Nacional de Pesquisas Espaciais (INPE)",
              address = "S{\~a}o Jos{\'e} dos Campos",
             keywords = "Rate constant, Quantum chemistry, HCCO, Ketenyl radical.",
             abstract = "In this work, we present the reaction rate and dissociation of 
                         ketenyl radical HCCO, where we found two possible pathways for the 
                         doublet state (2A). The optimized geometries and frequencies were 
                         determined at B3LYP/6-311g(2d,d,p) internal to CBSQB3 methods. The 
                         reaction rates are calculated using the APUAMA code, applying the 
                         tunneling correction of Wigner, Eckart and small curvature 
                         transmission coefficient (SCT), and the total reaction rate is 
                         presented in the Arrhenius form as k(2A)(s\􀀀1) = 3:16 
                         1058T\􀀀57:21exp(\􀀀361:01 kcal 
                         mol\􀀀1=RT).",
  conference-location = "S{\~a}o Jos{\'e} dos Campos",
      conference-year = "07-09 ago. 2019",
                 issn = "2177-3114",
             language = "pt",
         organisation = "Instituto Nacional de Pesquisas Espaciais (INPE)",
                  ibi = "8JMKD3MGPDW34R/3TTB5KL",
                  url = "http://urlib.net/rep/8JMKD3MGPDW34R/3TTB5KL",
           targetfile = "32 -[Artigo] Henrique de Oliveira Euclides.pdf",
                 type = "CMS",
        urlaccessdate = "25 jan. 2021"
}


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