{"id":73170,"date":"2005-11-03T00:00:00","date_gmt":"2005-11-03T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/caracterizacion-ab-initio-y-estudio-de-la-dinamica-y-cinetica-de-la-reaccion-o4s-h2-x-1sigmag-ohx-3sigma-h-2s-y-sus-variantes-isotopicas-con-d2-y-hd-mediante-metodos-clasicos-y-c\/"},"modified":"2005-11-03T00:00:00","modified_gmt":"2005-11-03T00:00:00","slug":"caracterizacion-ab-initio-y-estudio-de-la-dinamica-y-cinetica-de-la-reaccion-o4s-h2-x-1sigmag-ohx-3sigma-h-2s-y-sus-variantes-isotopicas-con-d2-y-hd-mediante-metodos-clasicos-y-c","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/caracterizacion-ab-initio-y-estudio-de-la-dinamica-y-cinetica-de-la-reaccion-o4s-h2-x-1sigmag-ohx-3sigma-h-2s-y-sus-variantes-isotopicas-con-d2-y-hd-mediante-metodos-clasicos-y-c\/","title":{"rendered":"Caracterizaci\u00f3n ab initio y estudio de la din\u00e1mica y cin\u00e9tica de la reacci\u00f3n o+(4s)+ h2 (x 1sigma+g) -&gt; oh+(x 3sigma+) + h (2s) y sus variantes isot\u00f3picas con d2 y hd, mediante m\u00e9todos cl\u00e1sicos y cu\u00e1nticos."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Rodrigo Mart\u00ednez Ruiz <\/strong><\/h2>\n<p>La tesis doctoral titulada \u00abcaracterizaci\u00f3n ab initio y estudio de la din\u00e1mica y cin\u00e9tica de la reacci\u00f3n   y sus variantes isot\u00f3picas con   y hd, mediante m\u00e9todos cl\u00e1sicos y cu\u00e1nticos\u00bb se enmarca en el contexto de la din\u00e1mica de las reacciones qu\u00edmicas, campo que tiene como objetivo la caracterizaci\u00f3n a nivel microsc\u00f3pico, ya sea mediante la aplicaci\u00f3n de m\u00e9todos te\u00f3ricos o experimentales, de c\u00f3mo se producen las reacciones qu\u00edmicas y de qu\u00e9 manera dependen las propiedades din\u00e1micas (escalares y vectoriales) de las mismas de las condiciones de reacci\u00f3n.  en el contexto m\u00e1s espec\u00edfico de la tesis doctoral, el principal objetivo de la misma ha sido el estudio te\u00f3rico desde primeros principios (desde la estructura electr\u00f3nica hasta la din\u00e1mica y cin\u00e9tica cu\u00e1ntica) de la reacci\u00f3n i\u00f3n-mol\u00e9cula   y sus variantes isot\u00f3picas con   y hd. Esta reacci\u00f3n, que es importante en la ionosfera terrestre y en qu\u00edmica interestelar (concretamente, en las nubes interestelares densas, donde el hidr\u00f3geno est\u00e1 principalmente en forma molecular).  en la primera parte de la memoria se tratan los fundamentos de los m\u00e9todos ab initio, de c\u00e1lculo de superficies de energ\u00eda potencial, los m\u00e9todos de ajuste de superficies de energ\u00eda potencial, los m\u00e9todos din\u00e1micos cuasicl\u00e1sicos (m\u00e9todo qct) y mecano-cu\u00e1nticos (m\u00e9todos exacto (cch) y de propagaci\u00f3n de paquetes de ondas (wave packet, wp)). En la segunda parte, se presentan los resultados del trabajo de tesis propiamente dicho utilizando los m\u00e9todos te\u00f3ricos descritos en la primera parte de la memoria. Posteriormente, se indican las conclusiones del trabajo, finalizando la memoria con dos ap\u00e9ndices. en el primero se aporta informaci\u00f3n din\u00e1mica y cin\u00e9tica en forma tabular y en el segundo se describen los ficheros de entrada de los dos programas de din\u00e1mica mecano-cu\u00e1ntica empleados.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Caracterizaci\u00f3n ab initio y estudio de la din\u00e1mica y cin\u00e9tica de la reacci\u00f3n o+(4s)+ h2 (x 1sigma+g) -&gt; oh+(x 3sigma+) + h (2s) y sus variantes isot\u00f3picas con d2 y hd, mediante m\u00e9todos cl\u00e1sicos y cu\u00e1nticos.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Caracterizaci\u00f3n ab initio y estudio de la din\u00e1mica y cin\u00e9tica de la reacci\u00f3n o+(4s)+ h2 (x 1sigma+g) -&gt; oh+(x 3sigma+) + h (2s) y sus variantes isot\u00f3picas con d2 y hd, mediante m\u00e9todos cl\u00e1sicos y cu\u00e1nticos. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Rodrigo Mart\u00ednez Ruiz <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Rioja<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 11\/03\/2005<\/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>Miguel Gonzalez Perez<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Antonio Aguilar navarro <\/li>\n<li>josep Mar\u00eda Lucas alcorta (vocal)<\/li>\n<li>Miguel Paniagua caparr\u00f3s (vocal)<\/li>\n<li> Anglada rull Jos\u00e9 Mar\u00eda (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Rodrigo Mart\u00ednez Ruiz La tesis doctoral titulada \u00abcaracterizaci\u00f3n ab initio y estudio de la din\u00e1mica y cin\u00e9tica [&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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