{"id":36477,"date":"1998-01-01T00:00:00","date_gmt":"1998-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/teoria-variacional-del-estado-de-transicion-nuevos-desarrollos-metodologicos-y-su-aplicacion-a-sistemas-de-interes-quimico\/"},"modified":"1998-01-01T00:00:00","modified_gmt":"1998-01-01T00:00:00","slug":"teoria-variacional-del-estado-de-transicion-nuevos-desarrollos-metodologicos-y-su-aplicacion-a-sistemas-de-interes-quimico","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/teoria-variacional-del-estado-de-transicion-nuevos-desarrollos-metodologicos-y-su-aplicacion-a-sistemas-de-interes-quimico\/","title":{"rendered":"Teoria variacional del estado de transicion: nuevos desarrollos metodologicos y su aplicacion a sistemas de interes quimico."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Jorge Villa Freixa <\/strong><\/h2>\n<p>En este trabajo se han dise\u00f1ado y programado nuevos desarrollos metodol\u00f3gicos para la implementaci\u00f3n pr\u00e1ctica de la teor\u00eda variacional del estado de transici\u00f3n (vtst).  en concreto se han desarrollado algoritmos para la correlaci\u00f3n de las frecuencias generalizadas a lo largo del camino de reacci\u00f3n, as\u00ed como el algoritmo que permite la utilizaci\u00f3n de la vtst en sistemas de los que no se dispone del camino de m\u00ednima energ\u00eda.  en un segundo apartado del trabajo se ha aplicado la vtst en sistemas de inter\u00e9s qu\u00edmico. Por un lado el estudio de una transferencia prot\u00f3nica en fase gas y por otro el estudio de dos reacciones de asociaci\u00f3n radical-mol\u00e9cula.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Teoria variacional del estado de transicion: nuevos desarrollos metodologicos y su aplicacion a sistemas de interes quimico.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Teoria variacional del estado de transicion: nuevos desarrollos metodologicos y su aplicacion a sistemas de interes quimico. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Jorge Villa Freixa <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1998<\/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>Josep Mar\u00eda Lluch L\u00f3pez<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Jes\u00fas Santamaria Antonio <\/li>\n<li>Agusti Lledos Falco (vocal)<\/li>\n<li>Antonio Aguilar Navarro (vocal)<\/li>\n<li>Juan  Jos\u00e9 Novoa Vide (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Jorge Villa Freixa En este trabajo se han dise\u00f1ado y programado nuevos desarrollos metodol\u00f3gicos para la implementaci\u00f3n [&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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