@InProceedings{EuclidesBarr:2018:ReRaH2,
author = "Euclides, Henrique O. and Barreto, Patr{\'{\i}}cia Regina
Pereira",
affiliation = "{Instituto Nacional de Pesquisas Espaciais (INPE)}",
title = "Reaction rate of H2CO -! H2 + CO via TST",
booktitle = "Anais...",
year = "2018",
editor = "Santos, Walter Abrah{\~a}o dos and Rodrigues, Italo Pinto and
Lima, Jeanne Samara dos Santos and Rodrigues, Aline Castilho and
Mateus, Dairo Antonio Cuellar and Moreira, Herbi J{\'u}nior
Pereira and Barbosa, ivan M{\'a}rcio and Ten{\'o}rio,
Pl{\'{\i}}nio Ivo Gama and Toledo, Rafael Cardoso and Pereira,
Yuri Matheus Dias",
organization = "Workshop em Engenharia e Tecnologia Espaciais, 9. (WETE)",
publisher = "Instituto Nacional de Pesquisas Espaciais (INPE)",
address = "S{\~a}o Jos{\'e} dos Campos",
keywords = "Rate constant, Thermodynamic properties, Quantum chemistry, H2CO,
Formaldehyde.",
abstract = "In this work, we present the dissociation of formaldehyde, where
we have three possible pathways, for the singlet state. The
optimized geometry and frequencies where determine at
B3LYP/6-311g(2d,d,p) internal to CBS-QB3 methods in the GAUSSIAN09
program. The thermodynamic properties and the reaction rate are
calculated using the APUAMA code, applying the tunneling
correction ofWigner, Eckart and small curvature transmission
coefficient, which is also presented in the Arrhenius form.",
conference-location = "S{\~a}o Jos{\'e} dos Campos",
conference-year = "15-16 ago. 2018",
issn = "2177-3114",
language = "pt",
organisation = "Instituto Nacional de Pesquisas Espaciais (INPE)",
ibi = "8JMKD3MGPDW34R/3S2EJHL",
url = "http://urlib.net/ibi/8JMKD3MGPDW34R/3S2EJHL",
targetfile = "11 - [Artigo] Henrique Euclides.pdf",
type = "Ci{\^e}ncia e Tecnologia de Materiais e Controle",
urlaccessdate = "23 abr. 2024"
}