{"id":129247,"date":"1996-01-01T00:00:00","date_gmt":"1996-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/espectroscopia-vibracional-y-cinetica-molecular-en-la-termolisis-de-las-azidas-alifaticas\/"},"modified":"1996-01-01T00:00:00","modified_gmt":"1996-01-01T00:00:00","slug":"espectroscopia-vibracional-y-cinetica-molecular-en-la-termolisis-de-las-azidas-alifaticas","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/espectroscopia-vibracional-y-cinetica-molecular-en-la-termolisis-de-las-azidas-alifaticas\/","title":{"rendered":"Espectroscopia vibracional y cinetica molecular en la termolisis de las azidas alifaticas."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Adelaida Sanchez Galvez <\/strong><\/h2>\n<p>En esta tesis doctoral se han empleado metodos de calculo quimico-cuanticos a nivel semiempirico y ab initio para elucidar el mecanismo de una reaccion de interes en la industria de los propelentes como es la descomposicion termica de las azidas alifaticas. Para ello se han construido superficies reducidas de energia potencial sobre las que se han identificado los puntos quimicamente significativos.  ademas, se ha puesto a punto una sistematica para determinar de forma teorica el factor de frecuencia de la constante de velocidad del proceso, y para ello se ha hecho uso de los metodos de calculo tipicos de la espectroscopia vibracional, concretamente en lo que se refiere a la determinacion de las propiedades vibracionales de los estados de transicion, que son necesarias para el calculo de las correspondientes funciones de particion. Hasta ahora, estas especies moleculares no son accesibles a la experimentacion directa, por lo que para estimar su campo de fuerzas, y por tanto sus frecuencias de vibracion, se han transferido los factores de escala empleados en el escalado del campo de fuerzas de las azidas en su estado fundamental. Los resultados asi obtenidos para el factor de frecuencia presentan muy buena concordancia con los datos experimentales, que consideramos que sera mejorada a medida que se aumente el nivel de teoria empleado en los calculos.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Espectroscopia vibracional y cinetica molecular en la termolisis de las azidas alifaticas.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Espectroscopia vibracional y cinetica molecular en la termolisis de las azidas alifaticas. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Adelaida Sanchez Galvez <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 M\u00e1laga<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1996<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li> Arenas Rosado Juan  Francisco<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Francisco Tom\u00e1s Vert <\/li>\n<li> Marcos Guilarte Juan  Ignacio (vocal)<\/li>\n<li> Andres Ordax Francisco Jos\u00e9 (vocal)<\/li>\n<li>Enrique L\u00f3pez-cantarero Vargas (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Adelaida Sanchez Galvez En esta tesis doctoral se han empleado metodos de calculo quimico-cuanticos a nivel semiempirico [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center 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