{"id":83353,"date":"2018-03-10T00:07:27","date_gmt":"2018-03-10T00:07:27","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/complejos-de-van-der-waalsestructurapropiedades-y-naturaleza-de-la-interaccion\/"},"modified":"2018-03-10T00:07:27","modified_gmt":"2018-03-10T00:07:27","slug":"complejos-de-van-der-waalsestructurapropiedades-y-naturaleza-de-la-interaccion","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/complejos-de-van-der-waalsestructurapropiedades-y-naturaleza-de-la-interaccion\/","title":{"rendered":"Complejos de van der waals:estructura,propiedades y naturaleza de la interacci\u00f3n"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Victor Manuel Rayon Rico <\/strong><\/h2>\n<p>En esta tesis doctoral se ha llevado a cabo un estudio te\u00f3rico por medio de m\u00e9todos ab inito de diversos sistemas d\u00e9bilmente enlazados de diferente naturaleza(complejos donor-aceptor, complejos que incorporan enlaces de hidr\u00f3geno, y complejos de van der waals enlos que el di\u00f3xido de azufre es uno de los fragmentos constituyentes). En todos los casos se han localizado las estructuras qu\u00edmicamente mas significativas sobre la superficie de energ\u00eda potencial generada a un nivel de c\u00e1lculo correlacionado y usando diferentes conjuntos de bases. Se han podido obtener entonces diversas propiedades de los sistemas estudiados(par\u00e1metros estructurales, energ\u00edas de interacci\u00f3n, momentos dipolares, constantes rotacionales, frecuencias de vibraci\u00f3n, etc.) Que pueden ser comparadas con las obtenidas mediante diferentes t\u00e9cnicas espectrosc\u00f3pcias. Las funciones de onda se han analizado en detalle con el objetivo de estudiar el origen y la naturaleza de la interacci\u00f3n en estos sistemas.  los resultados obtenidos permiten concluir que los m\u00e9todos est\u00e1ndar la teor\u00eda de la estructura electr\u00f3nica reproducen las tendencias experimentales y permiten racionalizar la naturaleza de las fuerza involucradas en el enlace intermolecular, si bien es necesario una adecuada elecci\u00f3n de la metodolog\u00eda utilizada en caa caso. As\u00ed, hemos encontrado que un nivel de c\u00e1lculo mp2 junto con el uso de las bases consistentes en correlaci\u00f3n representa un nivel de c\u00e1lculo adecuado para el estudio de las superficies de energ\u00eda potencial de sistemas d\u00e9bilmente enlazados. El an\u00e1lisis energ\u00e9tico de los mismos requiere, por el contrario, el uso de metodolog\u00edas que incorporen de manera m\u00e1s eficiente la correlaci\u00f3n electr\u00f3nica(mp4sdtq,qcisd(t). El an\u00e1lisis de la funci\u00f3n de onda, seg\u00fan diversas t\u00e9cnicas, nos ha permitido estudiar la naturaleza de la interacci\u00f3n en todos los sistemas estudiados. de esta forma, hemos podido comprobar la importancia de la tra<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Complejos de van der waals:estructura,propiedades y naturaleza de la interacci\u00f3n<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Complejos de van der waals:estructura,propiedades y naturaleza de la interacci\u00f3n <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Victor Manuel Rayon Rico <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Oviedo<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 14\/02\/2000<\/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> Sordo Gonzalo Jos\u00e9 Angel<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: serafin Fraga sanchez <\/li>\n<li>Jaime Fernandez rico (vocal)<\/li>\n<li>pierre Vogel (vocal)<\/li>\n<li> Alonso hernandez Jos\u00e9 Luis (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Victor Manuel Rayon Rico En esta tesis doctoral se ha llevado a cabo un estudio te\u00f3rico por [&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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