{"id":36439,"date":"1998-01-01T00:00:00","date_gmt":"1998-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/resolucion-de-estructuras-cristalinas-a-partir-de-datos-de-difraccion-de-polvo\/"},"modified":"1998-01-01T00:00:00","modified_gmt":"1998-01-01T00:00:00","slug":"resolucion-de-estructuras-cristalinas-a-partir-de-datos-de-difraccion-de-polvo","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/resolucion-de-estructuras-cristalinas-a-partir-de-datos-de-difraccion-de-polvo\/","title":{"rendered":"Resolucion de estructuras cristalinas a partir de datos de difraccion de polvo."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Juan Sa\u00f1e Mune <\/strong><\/h2>\n<p>Los objetivos de esta tesis son: 1- el desarrollo de nuevas metodolog\u00edas para la resoluci\u00f3n de estructuras cristalinas a partir de datos de difracci\u00f3n de polvo y 2- la aplicaci\u00f3n de estas metodolog\u00edas para resolver \u00abab initio\u00bb la estructura de diversos compuestos. Se ha incidido en tres aspectos b\u00e1sicos del proceso de resoluci\u00f3n, que son:  1- extracci\u00f3n de las intensidades integradas: nuevo m\u00e9todo de ajuste global de perfil y de estimaci\u00f3n de los errores. Criterio de separaci\u00f3n m\u00ednimo entre reflexiones 2- soluci\u00f3n al problema de las fases: tests de la f\u00f3rmula de la tangente sumf-tf con datos de monocristal, y aplicaci\u00f3n a datos de polvo. Nuevo m\u00e9todo de patterson search para la orientaci\u00f3n de fragmentos que contengan un \u00e1tomo posicionado.  3- afinamiento del modelo: nuevo m\u00e9todo, equivalente al fourier de difer\u00e9ncias, para completar estructuras con datos de polvo. Afinamiento de rietveld con restricciones y constre\u00f1imientos. Afinamiento de \u00e1ngulos de torsi\u00f3n usando el m\u00e9todo de rietveld. Los m\u00e9todos desarrollados se han aplicado a un total de 12 compuestos de caracter\u00edsticas muy dispares: zeolitas, compuestos inorg\u00e1nicos no porosos y cristales moleculares con y sin la presencia de \u00e1tomos pesados.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Resolucion de estructuras cristalinas a partir de datos de difraccion de polvo.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Resolucion de estructuras cristalinas a partir de datos de difraccion de polvo. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Juan Sa\u00f1e Mune <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1998<\/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>Jordi Rius  Palleiro<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Jos\u00e9 Mar\u00eda Amigo Descarrega <\/li>\n<li>Felicia Plana Llevat (vocal)<\/li>\n<li>Miguel Angel Cuevas Diarte (vocal)<\/li>\n<li>Xavier Solans Huguet (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Juan Sa\u00f1e Mune Los objetivos de esta tesis son: 1- el desarrollo de nuevas metodolog\u00edas para la [&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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