{"id":13212,"date":"2001-08-10T00:00:00","date_gmt":"2001-08-10T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estudos-teoricos-de-reacciones-bimoleculares-en-fase-gas-progresando-de-tres-a-cuatro-atomos\/"},"modified":"2001-08-10T00:00:00","modified_gmt":"2001-08-10T00:00:00","slug":"estudos-teoricos-de-reacciones-bimoleculares-en-fase-gas-progresando-de-tres-a-cuatro-atomos","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/estudos-teoricos-de-reacciones-bimoleculares-en-fase-gas-progresando-de-tres-a-cuatro-atomos\/","title":{"rendered":"Estudos te\u00f3ricos de reacciones bimoleculares en fase gas: progresando de tres a cuatro \u00e1tomos"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Diego Troya Corcuera <\/strong><\/h2>\n<p>La memoria de tesis doctoral presentada por d. Diego corcuera recoge los resultados de un extenso estudio de la cin\u00e9tica y din\u00e1mica de reacciones biomoleculares poliat\u00f3micas en fase gas. En la realizaci\u00f3n de este estudio se han utilizado varias la matodolog\u00edas basadas en la mec\u00e1ncia cu\u00e1ntica y cl\u00e1sica empleadas en los estudios de alto nivel de cin\u00e9tica y din\u00e1mica de reacciones qu\u00edmicas. En este trabajo se intenta abordar el problema de la descripci\u00f3n de la reacitivdad de sistemas pliat\u00f3micos asociado al gran n\u00famero de grados de libertad implicados bien modelando la suprficie de energ\u00eda potencial con funciones anal\u00edticas de dimensionalidad reducida (triat\u00f3mica) en las reacciones x + ch4 (x=f, cl, h) y o(1d) + n2o, o extendiendo un tratamiento din\u00e1mico a sistema tetrat\u00f3micos (qct, iosa) en el caso de las reacciones h + hcn, cl + hcn, h + h2o y oh + h2. En todo el estudio se hace especial \u00e9nfasis en la comparaci\u00f3n de teor\u00eda y experimento ya sea para validar los resultados del estudio y proponer una descripci\u00f3n del mecanismo microsc\u00f3pico de la reacci\u00f3n que permita comprender en mayor profundidad la reactividad de los sistemas estudiados o afines. Como puntos a destacar en los trabajos recogidos en esta memoria de tesis indicar\u00eda:  &#8211; obtenci\u00f3n de superficies de energ\u00eda potencial sep de reacciones pliat\u00f3mcias utilizando m\u00e9todos cu\u00e1ntico ab-inito de alto nivel.  aplicada a la familia de reacciones x + ch4 (x = f; cl, h).  &#8211; obtenci\u00f3n de sep anal\u00edticas por ajuste de puntos de la sep ab-inito utilizando funciones con dependencia triat\u00f3mica.  aplicada a la familia de reacciones x + ch4 (x = f; cl, h).  &#8211; estudio cin\u00e9tico utilizando distintos niveles de teor\u00eda en el marco de la teor\u00eda variacional del estado de transici\u00f3n (vtst)  se estudian las reacciones x + ch4 (x = f, cl, h) y oh + h2  h+ h2o.  &#8211; aplicaci\u00f3n del modelo qct a reacciones pliat\u00f3micas utilizando modelos de dimesnionalidad reducida.  se e<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudos te\u00f3ricos de reacciones bimoleculares en fase gas: progresando de tres a cuatro \u00e1tomos<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudos te\u00f3ricos de reacciones bimoleculares en fase gas: progresando de tres a cuatro \u00e1tomos <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Diego Troya Corcuera <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Rioja<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 08\/10\/2001<\/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>Irene Ba\u00f1os Arribas<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Antonio Aguilar navarro <\/li>\n<li>joaqu\u00edn Espinosa Garc\u00eda (vocal)<\/li>\n<li> Gim\u00e9nez font f. xavier (vocal)<\/li>\n<li>gy\u00ed\u00b6rgy Lendvay (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Diego Troya Corcuera La memoria de tesis doctoral presentada por d. Diego corcuera recoge los resultados de [&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 center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"footnotes":""},"categories":[199,1272,560,18890],"tags":[42979,42977,42980,42981,42978,33361],"class_list":["post-13212","post","type-post","status-publish","format-standard","hentry","category-fisica","category-fisica-molecular","category-quimica-fisica","category-rioja","tag-antonio-aguilar-navarro","tag-diego-troya-corcuera","tag-gimenez-font-f-xavier","tag-gyirgy-lendvay","tag-irene-banos-arribas","tag-joaquin-espinosa-garcia"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/13212","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/comments?post=13212"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/13212\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=13212"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=13212"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=13212"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}