{"id":108781,"date":"2018-03-11T10:33:48","date_gmt":"2018-03-11T10:33:48","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/calculos-qua%c2%admico-cuanticos-en-sistemas-ha%c2%adbridos-formados-por-moleculas-y-nanoestructuras-procesos-de-transferencia-de-carga-fotoinducidos-y-reacciones-qua%c2%admicas\/"},"modified":"2018-03-11T10:33:48","modified_gmt":"2018-03-11T10:33:48","slug":"calculos-qua%c2%admico-cuanticos-en-sistemas-ha%c2%adbridos-formados-por-moleculas-y-nanoestructuras-procesos-de-transferencia-de-carga-fotoinducidos-y-reacciones-qua%c2%admicas","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/espectroscopia-molecular-en-quimica-fisica\/calculos-qua%c2%admico-cuanticos-en-sistemas-ha%c2%adbridos-formados-por-moleculas-y-nanoestructuras-procesos-de-transferencia-de-carga-fotoinducidos-y-reacciones-qua%c2%admicas\/","title":{"rendered":"C\u00e1lculos qu\u00edmico cu\u00e1nticos en sistemas h\u00edbridos formados por mol\u00e9culas y nanoestructuras.: procesos de transferencia de carga fotoinducidos y reacciones qu\u00edmicas."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Francisco \u00e1vila Ferrer <\/strong><\/h2>\n<p>Resumen: se han identificado procesos resonantes de transferencia de carga en los espectros sers de piridina, pirazina y p-benzoquinona, demostrando la importancia del mecanismo ct en la intensificaci\u00f3n selectiva de tales espectros. Se ha propuesto un mecanismo molecular de reacci\u00f3n de la nitroglicerina con un modelo de sustrato enzim\u00e1tico basado en el dip\u00e9ptido cisteil-ciste\u00edna utilizando m\u00e9todos qu\u00edmicocu\u00e1nticos, en concreto la teor\u00eda dft con el funcional m06-2x. Mediante este mecanismo se justifica la formaci\u00f3n del \u00f3xido n\u00edtrico, del ani\u00f3n peroxinitrito y del ani\u00f3n super\u00f3xidoas\u00edmismo se han estudiado procesos fotof\u00edsicos en sistemas que consist\u00edan en nanotubos de nituros de boro que sufren \u00abpeeling\u00bb en presencia de dimetilsulf\u00f3xido en medio acuoso, demostrando la actividad del mismo como catalizador.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>C\u00e1lculos qu\u00edmico cu\u00e1nticos en sistemas h\u00edbridos formados por mol\u00e9culas y nanoestructuras.: procesos de transferencia de carga fotoinducidos y reacciones qu\u00edmicas.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 C\u00e1lculos qu\u00edmico cu\u00e1nticos en sistemas h\u00edbridos formados por mol\u00e9culas y nanoestructuras.: procesos de transferencia de carga fotoinducidos y reacciones qu\u00edmicas. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Francisco \u00e1vila Ferrer <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 M\u00e1laga<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 30\/05\/2011<\/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>Juan Soto Mart\u00edn<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Juan  Francisco Arenas rosado <\/li>\n<li>fabrizio Santoro (vocal)<\/li>\n<li>Mar\u00eda asunci\u00f3n Mu\u00f1oz p\u00e9rez (vocal)<\/li>\n<li>manuela Rueda rueda (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Francisco \u00e1vila Ferrer Resumen: se han identificado procesos resonantes de transferencia de carga en los espectros sers [&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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