{"id":17623,"date":"2018-03-09T09:05:46","date_gmt":"2018-03-09T09:05:46","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/the-atmospheric-reaction-of-the-excited-nitrogen-atom-with-molecular-oxygen-ab-initio-study-of-the-potential-energy-surfaces-and-classical-and-quantum-dynamics\/"},"modified":"2018-03-09T09:05:46","modified_gmt":"2018-03-09T09:05:46","slug":"the-atmospheric-reaction-of-the-excited-nitrogen-atom-with-molecular-oxygen-ab-initio-study-of-the-potential-energy-surfaces-and-classical-and-quantum-dynamics","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/the-atmospheric-reaction-of-the-excited-nitrogen-atom-with-molecular-oxygen-ab-initio-study-of-the-potential-energy-surfaces-and-classical-and-quantum-dynamics\/","title":{"rendered":"The atmospheric reaction of the excited nitrogen atom with molecular oxygen: ab initio study of the potential energy surfaces and classical and quantum dynamics"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Irene Miquel Plana <\/strong><\/h2>\n<p>El trabajo de tesis se ha centrado en el estudio de las reacciones atmosf\u00e9ricas que implican el \u00e1tomo de nitr\u00f3geno en su estado electr\u00f3nico exictado con la mol\u00e9cula de ox\u00edgeno. Estas reacciones son importantes ya que tienen lugar en las capas de la alta atmosfera y participan en la formaci\u00f3n de la mol\u00e9cula de no vibracionalmente excitada.  los m\u00e9todos utilizados para abordar el estudio de este sistema son los empleados en din\u00e1mica de reacciones. En primer lugar se ha realizado un estudio de la estructura electr\u00f3nica del sistema en el que se han descrito los puntos estacionarios de las superficies de energ\u00eda potencial que participan en el proceso. A continuaci\u00f3n se han ajustado las superficies de energ\u00eda potencial que correlacionan reactivos y productos mediante funciones anal\u00edticas de tipo sorbie-murrell. Finalmente se ha realizado un estudio cin\u00e9tico en el que se han utilizado m\u00e9todos estad\u00edsticos y un estudio din\u00e1mico empleando m\u00e9todos cl\u00e1sicos y cu\u00e1nticos.  los resultados cin\u00e9ticos y din\u00e1micos han sido comparados con los obtenidos experimentalmente obteni\u00e9ndose un buen acuerdo y mostrando que la desactivaci\u00f3n del nitr\u00f3geno electr\u00f3nicamente excitado produce principalmente ox\u00edgeno en estado fundamental y la mol\u00e9cula de \u00f3xido n\u00edtrico.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>The atmospheric reaction of the excited nitrogen atom with molecular oxygen: ab initio study of the potential energy surfaces and classical and quantum dynamics<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 The atmospheric reaction of the excited nitrogen atom with molecular oxygen: ab initio study of the potential energy surfaces and classical and quantum dynamics <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Irene Miquel Plana <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 21\/06\/2002<\/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: Juan  jose Novoa vide <\/li>\n<li> Bofill vill\u00ed\u00a0 josep m. (vocal)<\/li>\n<li>gabriel Balint-kurti (vocal)<\/li>\n<li> Enriquez palma pedro a. (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Irene Miquel Plana El trabajo de tesis se ha centrado en el estudio de las reacciones atmosf\u00e9ricas [&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":[951,2745,25601,199,560,11599],"tags":[55078,55080,55079,55077,1123,8197],"class_list":["post-17623","post","type-post","status-publish","format-standard","hentry","category-barcelona","category-cinetica-quimica","category-fenomenos-de-dispersion","category-fisica","category-quimica-fisica","category-teoria-cuantica","tag-bofill-villi-josep-m","tag-enriquez-palma-pedro-a","tag-gabriel-balint-kurti","tag-irene-miquel-plana","tag-juan-jose-novoa-vide","tag-miguel-gonzalez-perez"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/17623","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=17623"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/17623\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=17623"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=17623"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=17623"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}