{"id":135915,"date":"1997-01-01T00:00:00","date_gmt":"1997-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/espectroscopia-teorica-de-oligomeros-de-cadena-corta-de-polimeros-organicos-conjugados\/"},"modified":"1997-01-01T00:00:00","modified_gmt":"1997-01-01T00:00:00","slug":"espectroscopia-teorica-de-oligomeros-de-cadena-corta-de-polimeros-organicos-conjugados","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/espectroscopia-teorica-de-oligomeros-de-cadena-corta-de-polimeros-organicos-conjugados\/","title":{"rendered":"Espectroscopia teorica de oligomeros de cadena corta de polimeros organicos conjugados."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Mercedes Rubio Mas <\/strong><\/h2>\n<p>La presente tesis doctoral aborda el estudio teorico del espectro electronico de las moleculas de naftaleno, bifenilo y sus iones, 2,2-bitiofeno y 2,2:5,2-tertiofeno.  dichas moleculas han sido elegidas por su condicion de oligomeros de polimeros organicos conjugados, sistemas de gran interes en tecnolog\u00eda de materiales. La metodolog\u00eda utilizada es el metodo ab initio caspt2, que consiste en un tratamiento de perturbaciones a segundo orden utilizando como referencia una funcion de onda multiconfiguracional de tipo casscf. Este metodo se ha mostrado especialmente bien configurado para el estudio de la espectroscopia electronica de moleculas organicas.  los resultados de este estudio constituyen una buena prueba de ello y representan los primeros resultados cuantitativos sobre los sistemas estudiados. En cada uno de los sistemas tratados, los estados excitados calculados han permitido interpretar las principales caracteristicas observadas en los distintos espectros registrados (optico, eelss, difotonico, &#8230;) Y predecir la posicion energetica de aquellos estados que son dificiles de detectar experimentalmente. Los calculos realizados proporcionan una descripcion fiable de dichos estados excitados. En concreto, las energias de excitacion calculadas ofrecen un buen acuerdo con los valores experimentales.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Espectroscopia teorica de oligomeros de cadena corta de polimeros organicos conjugados.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Espectroscopia teorica de oligomeros de cadena corta de polimeros organicos conjugados. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Mercedes Rubio Mas <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Universitat de val\u00e9ncia (estudi general)<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1997<\/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>Manuela Mar\u00eda Merch\u00e1n Bonete<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Ignacio Nebot Gil <\/li>\n<li>O. Roos Bjorn (vocal)<\/li>\n<li>Juan  Teodomiro Lopez Navarrete (vocal)<\/li>\n<li>Santiago Olivella Nello (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Mercedes Rubio Mas La presente tesis doctoral aborda el estudio teorico del espectro electronico de las moleculas [&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":[199,560,6153,11599],"tags":[12386,11603,29963,250208,12349,37184],"class_list":["post-135915","post","type-post","status-publish","format-standard","hentry","category-fisica","category-quimica-fisica","category-quimica-fisica-de-polimeros","category-teoria-cuantica","tag-ignacio-nebot-gil","tag-juan-teodomiro-lopez-navarrete","tag-manuela-maria-merchan-bonete","tag-mercedes-rubio-mas","tag-o-roos-bjorn","tag-santiago-olivella-nello"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/135915","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=135915"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/135915\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=135915"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=135915"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=135915"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}