{"id":154833,"date":"2026-01-12T17:14:44","date_gmt":"2026-01-12T17:14:44","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estudio-teorico-estructural-de-compuestos-con-unidades-n-c-o-calculos-ab-initio-y-campos-de-fuerzas-de-mecanica-molecular\/"},"modified":"2026-01-12T17:14:44","modified_gmt":"2026-01-12T17:14:44","slug":"estudio-teorico-estructural-de-compuestos-con-unidades-n-c-o-calculos-ab-initio-y-campos-de-fuerzas-de-mecanica-molecular","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/estudio-teorico-estructural-de-compuestos-con-unidades-n-c-o-calculos-ab-initio-y-campos-de-fuerzas-de-mecanica-molecular\/","title":{"rendered":"Estudio teorico estructural de compuestos con unidades n-c-o. calculos ab initio y campos de fuerzas de mecanica molecular."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Berta Fern\u00e1ndez  Rodr\u00edguez <\/strong><\/h2>\n<p>La tesis se centra en la obtencion de campos de fuerzas de mecanica molecular para el tratamiento de sistemas que contienen unidades estructurales n-c-o. Los campos de fuerzas de mecanica molecular son un conjunto de funciones y parametros que dan la energia potencial interna de una molecula en una determinada conformacion.  el proceso de obtencion de un campo de fuerzas nuevo supone la busqueda de dichas funciones y parametros, asi, una vez definidas las primeras, la determinacion de parametros se basa en la reproduccion de datos estructurales fiables ya disponibles.  en el caso de los sistemas estudiados en la tesis, como no se disponia de datos estructurales adecuados, hubo que recurrir a la realizacion de un numero considerable de calculos \u00abab initio\u00bb sobre moleculas de peque\u00f1o tama\u00f1o con unidades n-c-o; y posteriormente se llevaron a cabo los procesos de parametrizacion y aplicacion de los campos de fuerzas obtenidos al estudio de sistemas de mayor tama\u00f1o.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudio teorico estructural de compuestos con unidades n-c-o. calculos ab initio y campos de fuerzas de mecanica molecular.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudio teorico estructural de compuestos con unidades n-c-o. calculos ab initio y campos de fuerzas de mecanica molecular. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Berta Fern\u00e1ndez  Rodr\u00edguez <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Santiago de compostela<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1991<\/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>Miguel Angel Rios Fern\u00e1ndez<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal:  Arenas Rosado Juan  Fco. <\/li>\n<li>Mar\u00eda Flor Rodr\u00edguez Prieto (vocal)<\/li>\n<li>Jos\u00e9 Molina Molina (vocal)<\/li>\n<li>Eugenio Uriarte Villares (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Berta Fern\u00e1ndez Rodr\u00edguez La tesis se centra en la obtencion de campos de fuerzas de mecanica molecular [&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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