{"id":133704,"date":"1997-01-01T00:00:00","date_gmt":"1997-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estudio-teorico-de-la-interaccion-metal-metal-en-complejos-polinucleares-de-metales-de-transicion-con-posible-interes-biologico\/"},"modified":"1997-01-01T00:00:00","modified_gmt":"1997-01-01T00:00:00","slug":"estudio-teorico-de-la-interaccion-metal-metal-en-complejos-polinucleares-de-metales-de-transicion-con-posible-interes-biologico","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica\/estudio-teorico-de-la-interaccion-metal-metal-en-complejos-polinucleares-de-metales-de-transicion-con-posible-interes-biologico\/","title":{"rendered":"Estudio teorico de la interaccion metal-metal en complejos polinucleares de metales de transicion con posible interes biologico."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Jaouad El Bahraoui <\/strong><\/h2>\n<p>Se ha realizado un estudio teorico de complejos dinucleares de derivados con iones de metales de transicion diamagneticos (ag, cu, pt, pd) con el fin de su caracterizacion teorica, incluyendo el estudio de la interaccion metal-metal, puntos de coordinacion estructura teorica, relacion estructura-actividad, etc.  de este estudio se extraen conclusiones que nos permiten el dise\u00f1o de nuevas estructuras que pueden presentar interesantes propiedades biologicas. En primer lugar se estudiaron complejos modelos de estructuras conocidas. Se realizaron calculos mecanocuanticos \u00ababinitio\u00bb a distintos niveles: rfh con optimizacion geometrica, con el empleo de distintas bases (utilizando todos electrones, asi como pseudopotenciales para los electrones internos). Tal como se ha puesto ultimamente de manifiesto, el estudio de la interaccion metal-metal necesita la estimacion de la correlacion electronica, por lo cual se realizaron calculos con funcionales de la densidad.  en un segundo paso se utilizaron los conocimientos adquiridos en el estudio de complejos binucleares derivados de la triazolopirimidina con metales de transicion de posible interes biologico.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudio teorico de la interaccion metal-metal en complejos polinucleares de metales de transicion con posible interes biologico.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudio teorico de la interaccion metal-metal en complejos polinucleares de metales de transicion con posible interes biologico. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Jaouad El Bahraoui <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Granada<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1997<\/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>Jos\u00e9 Molina Molina<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal:  Smeyers Guillemin Yves Gabriel <\/li>\n<li>Markku R. Sundberg (vocal)<\/li>\n<li>Alfonso Hernandez Laguna (vocal)<\/li>\n<li> Romero Molina Mar\u00eda  Angustias (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Jaouad El Bahraoui Se ha realizado un estudio teorico de complejos dinucleares de derivados con iones 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 center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"footnotes":""},"categories":[19,199,17,560,20,11599],"tags":[21868,247736,2273,137456,156118,23610],"class_list":["post-133704","post","type-post","status-publish","format-standard","hentry","category-compuestos-coordinados","category-fisica","category-quimica","category-quimica-fisica","category-quimica-inorganica","category-teoria-cuantica","tag-alfonso-hernandez-laguna","tag-jaouad-el-bahraoui","tag-jose-molina-molina","tag-markku-r-sundberg","tag-romero-molina-maria-angustias","tag-smeyers-guillemin-yves-gabriel"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/133704","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/comments?post=133704"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/133704\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=133704"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=133704"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=133704"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}