{"id":9850,"date":"1996-01-01T00:00:00","date_gmt":"1996-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/1996\/01\/01\/estudio-teorico-de-asociaciones-moleculares-locales-en-fase-condensada-modelos-y-aplicaciones\/"},"modified":"1996-01-01T00:00:00","modified_gmt":"1996-01-01T00:00:00","slug":"estudio-teorico-de-asociaciones-moleculares-locales-en-fase-condensada-modelos-y-aplicaciones","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/estudio-teorico-de-asociaciones-moleculares-locales-en-fase-condensada-modelos-y-aplicaciones\/","title":{"rendered":"Estudio teorico de asociaciones moleculares locales en fase condensada. modelos y aplicaciones."},"content":{"rendered":"<h2>Tesis doctoral de <strong>  Contador Baladon Juan  Carlos <\/strong><\/h2>\n<p>Una apuesta fundamental a la que se enfrenta la quimica cuantica actual es la desarrollar metodos suficientemente precisos para el estudio de colectivos moleculares. En la actualidad el panorama no esta todavia despejado en lo que se refiere a la descripcion de la forma en la que una interaccion molecular se ve influenciada por la presencia de otras moleculas, tal como ocurre en liquidos o en disoluciones. Esta tesis intenta aportar una via elaborando un metodo teorico que permita el estudio de interacciones moleculares en disolucion, teniendo en cuenta:  1) la variacion de las propiedades estructurales y energeticas inducidas por el divente en asociados.  2) la posibilidad de analisis por componentes (electrostatica, polarizacion, etc) de las propiedades energeticas de agregados moleculares en disolucion.  3) la consideracion simultanea de: el error de la superposicion de la base, la correlacion electronica y el efecto del disolvente en el tratamiento integrado de interacciones moleculares.  4) la inclusion de las contribuciones multicuerpo asociadas al disolvente.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudio teorico de asociaciones moleculares locales en fase condensada. modelos y aplicaciones.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudio teorico de asociaciones moleculares locales en fase condensada. modelos y aplicaciones. <\/li>\n<li><strong>Autor:<\/strong>\u00a0  Contador Baladon Juan  Carlos <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Extremadura<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1996<\/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 Angel Aguilar Espinosa<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Angel Lopez Pi\u00f1eiro <\/li>\n<li>Juan Llor Esteban (vocal)<\/li>\n<li>Manuel Cortijo Merida (vocal)<\/li>\n<li>Francisco Mu\u00f1oz Izquierdo (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Contador Baladon Juan Carlos Una apuesta fundamental a la que se enfrenta la quimica cuantica actual es [&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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