{"id":108290,"date":"2011-06-05T00:00:00","date_gmt":"2011-06-05T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/introduccion-de-funciones-de-polarizacion-en-metodos-semiempa%c2%adricos-de-tipo-ndo\/"},"modified":"2011-06-05T00:00:00","modified_gmt":"2011-06-05T00:00:00","slug":"introduccion-de-funciones-de-polarizacion-en-metodos-semiempa%c2%adricos-de-tipo-ndo","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica-fisica\/introduccion-de-funciones-de-polarizacion-en-metodos-semiempa%c2%adricos-de-tipo-ndo\/","title":{"rendered":"Introducci\u00f3n de funciones de polarizaci\u00f3n en m\u00e9todos semiemp\u00edricos de tipo ndo"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Pedro Nilo Arenas Hinojosa <\/strong><\/h2>\n<p>La finalidad de la tesis es investigar el efecto de la introducci\u00f3n de funciones de polarizacion en metodos semiempiricos de tipo ndo. El principal problema resuelto es la obtencion de los parametros monocentricos necesarios. Para ello se ha desarrollado un modelo atomico denominado de capas atomicas independientes, que permite el calculo de dichos parametros de dos formas diferentes: &#8211; por ajustes a energias atomicas experimentales &#8211; mediante calculos ab-initio se han desarrollado dos metodolog\u00edas semiempiricas (una con polarizacion y otra sin ella) para realizar los calculos moleculares de las siguientes propiedades: geometrias de equilibrio, potenciales de ionizacion y momentos dipolares.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Introducci\u00f3n de funciones de polarizaci\u00f3n en m\u00e9todos semiemp\u00edricos de tipo ndo<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Introducci\u00f3n de funciones de polarizaci\u00f3n en m\u00e9todos semiemp\u00edricos de tipo ndo <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Pedro Nilo Arenas Hinojosa <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 C\u00e1diz<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 06\/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>Manuel Fern\u00e1ndez N\u00fa\u00f1ez<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: pablo Villarreal herr\u00e1n <\/li>\n<li>Luis Fern\u00e1ndez pacios (vocal)<\/li>\n<li>pedro Gomez calzada (vocal)<\/li>\n<li>david Zorrilla cuenca (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Pedro Nilo Arenas Hinojosa La finalidad de la tesis es investigar el efecto de la introducci\u00f3n de [&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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