@InProceedings{EuclidesBarr:2017:SoToRe,
author = "Euclides, Henrique O. and Barreto, Patr{\'{\i}}cia Regina
Pereira",
affiliation = "{} and {Instituto Nacional de Pesquisas Espaciais (INPE)}",
title = "APUAMA: a software tool for reaction rate calculations",
booktitle = "Anais...",
year = "2017",
editor = "Cerqueira, Christopher Shneider and B{\"u}rger, Eduardo Escobar
and Yassuda, Irineu dos Santos and Rodrigues, Italo Pinto and
Lima, Jeanne Samara dos Santos and Oliveira, M{\^o}nica Elizabeth
Rocha de and Ten{\'o}rio, Pl{\'{\i}}nio Ivo Gama",
organization = "Workshop em Engenharia e Tecnologias Espaciais, 8. (WETE)",
publisher = "Instituto Nacional de Pesquisas Espaciais (INPE)",
address = "S{\~a}o Jos{\'e} dos Campos",
keywords = "APUAMA code, Rate constant, Quantum chemistry, Rovibrational
Levels, Thermodynamic properties.",
abstract = "APUAMA is a free software designed to determine the reaction rate
and thermodynamic properties of chemical species of a reagent
system. With data from electronic structure calculations, the
APUAMA determine the rate constant with tunneling correction, such
as Wigner, Eckart and small curvature, and also, include the
rovibrational level of diatomic molecules. The results are
presented in the form of Arrhenius form, for the reaction rate,
and the thermodynamic properties are written down in the
polynomial form. The word APUAMA means fast in Tupi-Guarani
Brazilian language, then the code calculates the reaction rate on
a simple, intuitive graphic interface, the form fast and
practical. As program output, there are several text files with
tabulated information for rate constant, rovibrational levels,
energy barriers and enthalpy of reaction, Arrhenius coefficient,
and also, the option to the User save all graphics in BMP
format.",
conference-location = "S{\~a}o Jos{\'e} dos Campos",
conference-year = "9-10 ago. 2017",
issn = "2177-3114",
language = "en",
organisation = "Instituto Nacional de Pesquisas Espaciais (INPE)",
ibi = "8JMKD3MGPDW34R/3QAN3UL",
url = "http://urlib.net/ibi/8JMKD3MGPDW34R/3QAN3UL",
targetfile = "1_[ARTIGO] Henrique Euclides.pdf",
type = "Ci{\^e}ncia e Tecnologia de Materiais e Controle",
urlaccessdate = "26 abr. 2024"
}