{"id":121302,"date":"2024-02-01T02:29:35","date_gmt":"2024-02-01T02:29:35","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estudio-teorico-del-isomerismo-conformacional-en-hetereoaril-heterociclos-derivados-del-pirrol-y-furano\/"},"modified":"2024-02-01T02:29:35","modified_gmt":"2024-02-01T02:29:35","slug":"estudio-teorico-del-isomerismo-conformacional-en-hetereoaril-heterociclos-derivados-del-pirrol-y-furano","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica\/estudio-teorico-del-isomerismo-conformacional-en-hetereoaril-heterociclos-derivados-del-pirrol-y-furano\/","title":{"rendered":"Estudio teorico del isomerismo conformacional en hetereoaril-heterociclos derivados del pirrol y furano"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Enrique Orti Guillen <\/strong><\/h2>\n<p>Se han estudiado los potenciales de rotacion interna alrededor del enlace internuclear de todos los isomeros estructurales del bipirrol  bifurano y furil-pirrol. Se han utilizado los metodos de la mecanica cuantica:  calculos ab-initio de orbitales moleculares con optimizacion de geometria y usando base minima (sto-3g) y base de Valencia despoblada (4-31g). Se determina la necesidad de usar la base extendida para obtener un adecuado tratamiento de las interacciones no enlazantes asi como la dependencia estrecha entre la configuracion atomica en la region interanular y las propiedades del potencial. Por ultimo  se han interpretado los resultados ab-initio utilizando modelos mas simples y se ha discutido la transferibilidad de los potenciales de rotacion interna calculados.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudio teorico del isomerismo conformacional en hetereoaril-heterociclos derivados del pirrol y furano<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudio teorico del isomerismo conformacional en hetereoaril-heterociclos derivados del pirrol y furano <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Enrique Orti Guillen <\/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\/1986<\/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>Francisco Tom\u00e1s Vert<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal:  Fernandez Alonso Jos\u00e9 Ignacio <\/li>\n<li>Federico Moscard\u00f3 Llorens (vocal)<\/li>\n<li> Figueruelo Alejano Juan  Evangelista (vocal)<\/li>\n<li>Jaime Fernandez Rico (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Enrique Orti Guillen Se han estudiado los potenciales de rotacion interna alrededor del enlace internuclear de todos [&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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