Please use this identifier to cite or link to this item: http://repositorio.udec.cl/jspui/handle/11594/4270
Title: Termoquímica y cinética de las reacciones de transferencia de oxígeno sobre la superficie de grafeno: comparación de interacciones entre NO, O2, H2O y CO2 y sitios activos de tipo carbeno = Thermochemistry and kinetics of oxygen transfer reactions on the graphene surface: A comparison of interactions between NO, O2, H2O and CO2 and carbene-like active sites.
Other Titles: Thermochemistry and kinetics of oxygen transfer reactions on the graphene surface: A comparison of interactions between NO, O2, H2O and CO2 and carbene-like active sites.
Authors: Radovic, Ljubisa R., supervisora de grado
Oyarzún Aravena, Andrea María
Keywords: Cinética Química;Química Cuántica.
Issue Date: 2015
Publisher: Universidad de Concepción, Facultad de Ingeniería, Departamento de Ingeniería Química.
Abstract: Because of the wide-ranging applicability of solid carbon in the energy and materials industry as well as their similarities, we have analyzed its oxygen-transfer reactions in great detail using quantum chemistry procedures. We compared their mechanistic similarities and differences by obtaining thermochemical and kinetic information using the density functional theory (DFT) as implemented in the Gaussian 03 software package.
Description: Tesis para optar al grado de Doctor en Ciencias de la Ingeniería con mención en Ingeniería Química.
URI: http://repositorio.udec.cl/jspui/handle/11594/4270
metadata.dc.source.uri: https://go.openathens.net/redirector/udec.cl?url=http://tesisencap.udec.cl/concepcion/oyarzun_a
Appears in Collections:Ingeniería Química - Tesis Doctorado



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