{"id":69483,"date":"2018-03-09T23:13:58","date_gmt":"2018-03-09T23:13:58","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/analogos-tiofenicos-del-tcnq-estudio-teorico-de-las-propiedades-estructurales-y-electronicas\/"},"modified":"2018-03-09T23:13:58","modified_gmt":"2018-03-09T23:13:58","slug":"analogos-tiofenicos-del-tcnq-estudio-teorico-de-las-propiedades-estructurales-y-electronicas","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/analogos-tiofenicos-del-tcnq-estudio-teorico-de-las-propiedades-estructurales-y-electronicas\/","title":{"rendered":"An\u00e1logos tiof\u00e9nicos del tcnq: estudio te\u00f3rico de las propiedades estructurales y electr\u00f3nicas."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Bego\u00f1a Mili\u00e1n Medina <\/strong><\/h2>\n<p>En la presente tesis doctoral se ha abordado el estudio te\u00f3rico de las propiedades estructurales y electr\u00f3nicas de las mol\u00e9culas de tcne, tcnq, tiofeno-tcnq (1), isotianafteno-tcnq (2) y su an\u00e1logo de pirazina (3), los derivados vin\u00edlicos de 1 y 2 (4 y 5), los d\u00edmeros, tr\u00edmeros y tetr\u00e1meros quinoides 6-10, los sistemas fusionados 11-15 y, por \u00faltimo, las mol\u00e9culas \u00abpush-pull\u00bb 16-18. Dichas mol\u00e9culas han sido elegidas por el inter\u00e9s que suscitan dentro del campo de los materiales moleculares electroactivos. la metodolog\u00eda principalmente utilizada ha sido la teor\u00eda del funcional de la densidad, en sus versiones independiente y dependiente del tiempo (dft y tddft, respectivamente). La calidad y validez de los resultados dft han sido calibradas mediante la utilizaci\u00f3n de otras aproximaciones metodol\u00f3gicas m\u00e1s precisas (ccsd, ccsd(t) y casscf\/caspt2). En general, la aplicaci\u00f3n de los m\u00e9todos de c\u00e1lculo qu\u00edmico-cu\u00e1nticos ha permitido racionalizar las propiedades estructurales y electr\u00f3nicas de las distintas familias de an\u00e1logos tiof\u00e9nicos del tcnq, tanto en estado neutro como reducido, incidiendo especialmente en la influencia que las modificaciones estructurales ejercen sobre las propiedades electr\u00f3nicas de dichos compuestos.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>An\u00e1logos tiof\u00e9nicos del tcnq: estudio te\u00f3rico de las propiedades estructurales y electr\u00f3nicas.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 An\u00e1logos tiof\u00e9nicos del tcnq: estudio te\u00f3rico de las propiedades estructurales y electr\u00f3nicas. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Bego\u00f1a Mili\u00e1n Medina <\/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 16\/07\/2004<\/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>Enrique Ort\u00ed Guill\u00e9n<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal:  Nebot gil ignacio jos\u00e9 <\/li>\n<li>Juan  teodomiro Lopez navarrete (vocal)<\/li>\n<li>maurizio Cossi (vocal)<\/li>\n<li>Juan  Jos\u00e9 Novoa vide (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Bego\u00f1a Mili\u00e1n Medina En la presente tesis doctoral se ha abordado el estudio te\u00f3rico de las propiedades [&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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