{"id":53990,"date":"2006-12-07T00:00:00","date_gmt":"2006-12-07T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estudio-teorico-de-la-estructura-y-la-reactividad-de-nn-dialquilhidrazonas\/"},"modified":"2006-12-07T00:00:00","modified_gmt":"2006-12-07T00:00:00","slug":"estudio-teorico-de-la-estructura-y-la-reactividad-de-nn-dialquilhidrazonas","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/mecanismos-de-las-reacciones-organicas\/estudio-teorico-de-la-estructura-y-la-reactividad-de-nn-dialquilhidrazonas\/","title":{"rendered":"Estudio te\u00f3rico de la estructura y la reactividad de n,n-dialquilhidrazonas"},"content":{"rendered":"<h2>Tesis doctoral de <strong>  Mu\u00f1oz Calle Jes\u00fas Manuel <\/strong><\/h2>\n<p>La comprensi\u00f3n del mecanismo de las reacciones qu\u00edmicas constituye una de las herramientas m\u00e1s poderosas de la que dispone la qu\u00edmica. Su utilidad es aplicable para la interpretaci\u00f3n y predicci\u00f3n de todo tipo de propiedades, incluida la reactividad de las mol\u00e9culas, as\u00ed como para el dise\u00f1o de nuevos compuestos o materiales con alguna propiedad particular. Sin embargo, hist\u00f3ricamente esta tarea ha demostrado ser de una dificultad extraordinaria.     hoy por hoy, la qu\u00edmica cu\u00e1ntica brinda pues, no solo la posibilidad de determinar las estructuras de equilibrio de las mol\u00e9culas que corresponden a m\u00ednimos de energ\u00eda, sino lo que es m\u00e1s importante, permite simular unas transformaci\u00f3n qu\u00edmica paso a paso, recreando la ruptura y la formaci\u00f3n de enlaces, reproduciendo la asociaci\u00f3n y la separaci\u00f3n de \u00e1tomos a lo largo del proceso y determinar la barrera de energ\u00eda para alcanzar el estado de transici\u00f3n. Esta posibilidad de usar los m\u00e9todos te\u00f3ricos para investigar y explicar los caminos de reacci\u00f3n despert\u00f3 nuestro inter\u00e9s al inicio de esta investigaci\u00f3n. Por ello, como objetivo de esta tesis doctoral nos propusimos el uso de los c\u00e1lculos computaciones para complementar las experiencias de laboratorio llevadas a cabo en nuestro grupo de investigaci\u00f3n, combinando la teor\u00eda y la experimentaci\u00f3n en la b\u00fasqueda de una mejor comprensi\u00f3n de los distintos procesos en estudio para su posible optimizaci\u00f3n.     concretamente se han realizado mediante c\u00e1lculos \u00abab inito\u00bb sobre la estructura y la reactividad de n,n-dialquilhidrazonas de aldeh\u00eddos con los siguientes compuestos: compuestos carbon\u00edlicos, nitroalquenos, a,beta-insaturados, compuestos orgnaomet\u00e1licos y cetenas con el objeto de realizar propuestas mecan\u00edsticas sobre los procesos en los que intervienen.     en este estudio tambi\u00e9n se ha entrado en la realizaci\u00f3n de consideraciones estereoqu\u00edmicas encaminadas a justiciar la estereoselectividad observada en proceso experimental<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudio te\u00f3rico de la estructura y la reactividad de n,n-dialquilhidrazonas<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudio te\u00f3rico de la estructura y la reactividad de n,n-dialquilhidrazonas <\/li>\n<li><strong>Autor:<\/strong>\u00a0  Mu\u00f1oz Calle Jes\u00fas Manuel <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Sevilla<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 12\/07\/2006<\/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>Rosario Fernandez Fernandez<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: manuel G\u00f3mez guill\u00e9n <\/li>\n<li>pedro Merino filella (vocal)<\/li>\n<li>Francisco S\u00e1nchez burgos (vocal)<\/li>\n<li>Jos\u00e9 Luis Chiara romero (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Mu\u00f1oz Calle Jes\u00fas Manuel La comprensi\u00f3n del mecanismo de las reacciones qu\u00edmicas constituye una de las herramientas [&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":[239,10715],"tags":[2750,58768,26,119184,42541,11339],"class_list":["post-53990","post","type-post","status-publish","format-standard","hentry","category-mecanismos-de-las-reacciones-organicas","category-sevilla","tag-francisco-sanchez-burgos","tag-jose-luis-chiara-romero","tag-manuel-gomez-guillen","tag-munoz-calle-jesus-manuel","tag-pedro-merino-filella","tag-rosario-fernandez-fernandez"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/53990","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=53990"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/53990\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=53990"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=53990"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=53990"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}