{"id":34533,"date":"1998-01-01T00:00:00","date_gmt":"1998-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/teoria-y-simulacion-de-la-dinamica-de-procesos-unimoleculares-en-disolucion\/"},"modified":"1998-01-01T00:00:00","modified_gmt":"1998-01-01T00:00:00","slug":"teoria-y-simulacion-de-la-dinamica-de-procesos-unimoleculares-en-disolucion","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/teoria-y-simulacion-de-la-dinamica-de-procesos-unimoleculares-en-disolucion\/","title":{"rendered":"Teoria y simulacion de la dinamica de procesos unimoleculares en disolucion."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Raul Mu\u00f1oz Sanz <\/strong><\/h2>\n<p>Las reacciones unimoleculares de isomerizaci\u00f3n y descomposici\u00f3n han sido objeto de estudio mediante t\u00e9cnicas de simulaci\u00f3n por ordenador con las que se pretend\u00eda comprender la influencia din\u00e1mica del disolvente sobre importantes fen\u00f3menos como la transferencia intermolecular de energ\u00eda o la reactividad.  para ello se eligieron los siguientes sistemas qu\u00edmicos.  las mol\u00e9culas de metil-isonitrilo y metil-ciclohexano, cuya isomerizaci\u00f3n fue estudiada por mec\u00e1nica cl\u00e1sica con un esquema de din\u00e1mica molecular basado en las ecuaciones generalizadas de langevin. La descomposici\u00f3n del 1,1,1-trifluoroetano e isomerizaci\u00f3n del metil-isonitrilo se estudiaron por din\u00e1mica cu\u00e1ntica mediante m\u00e9todos de propagaci\u00f3n de paquetes de ondas. La transferencia prot\u00f3nica intramolecular para un sistema qu\u00edmico gen\u00e9rico fue tambi\u00e9n estudiada desde un punto de vista totalmente cu\u00e1ntico, y la isomerizaci\u00f3n de la mol\u00e9cula hnc mediante el empleo de t\u00e9cnicas basadas en propagadores de feynman.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Teoria y simulacion de la dinamica de procesos unimoleculares en disolucion.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Teoria y simulacion de la dinamica de procesos unimoleculares en disolucion. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Raul Mu\u00f1oz Sanz <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Complutense de Madrid<\/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>Jes\u00fas Santamaria Antonio<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Juan  Jose Freire Gomez <\/li>\n<li>Juan Bertr\u00e1n Rusca (vocal)<\/li>\n<li> Padro Cardenas Juan  Angel (vocal)<\/li>\n<li>Rosa Mar\u00eda Benito Zafrilla (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Raul Mu\u00f1oz Sanz Las reacciones unimoleculares de isomerizaci\u00f3n y descomposici\u00f3n han sido objeto de estudio mediante t\u00e9cnicas [&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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