@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/ibi/8JMKD3MGPDW34R/3TTB5KL",
targetfile = "32 -[Artigo] Henrique de Oliveira Euclides.pdf",
type = "CMS",
urlaccessdate = "27 abr. 2024"
}