{"id":24520,"date":"2003-09-07T00:00:00","date_gmt":"2003-09-07T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/una-aproximacion-teorica-a-la-qua%c2%admica-de-los-calcogenos\/"},"modified":"2003-09-07T00:00:00","modified_gmt":"2003-09-07T00:00:00","slug":"una-aproximacion-teorica-a-la-qua%c2%admica-de-los-calcogenos","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/una-aproximacion-teorica-a-la-qua%c2%admica-de-los-calcogenos\/","title":{"rendered":"Una aproximaci\u00f3n te\u00f3rica a la qu\u00edmica de los calc\u00f3genos"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Pablo Sanz Mercado <\/strong><\/h2>\n<p>Mediante la utilizaci\u00f3n de m\u00e9todos te\u00f3ricos como la teor\u00eda gaussian o dft, as\u00ed como \u00e1tomos en mol\u00e9culas y nbo entre otros, se ha realizado un estudio sistem\u00e1tico de la qu\u00edmica de los calc\u00f3genos, m\u00e1s concretamente de las interacciones d\u00e9biles (enlaces de hidr\u00f3geno intramoleculares einteraciones calc\u00f3geno-calc\u00f3geno) que presentan, para ello se ha realizado un estudio de:  * las propiedades de los enlaces dehidr\u00f3geno intramoleculares e interacciones calc\u00f3geno calc\u00f3geno dentro del marco de los beta-calcogenovinilaldeh\u00eddos, observando que estas interacciones d\u00e9biles son las responsables de la estabilidad de los m\u00ednimos globales de las superficies de energ\u00eda potencial estudiadas.  * el efecto de estas interacciones d\u00e9biles sobre la reactividad intr\u00ednseca del sistema estudiado, es decir, c\u00f3mo se ve afectada la basicidad y la acidez en sistemas que presentan enlaces de hidr\u00f3geno intramoleculares o interacciones calc\u00f3geno-calc\u00f3geno.  * la responsabilidad de la resonancia en la estabilidad presente gracias a estas interacciones d\u00e9biles debido a una extra estabilizaci\u00f3n por la existencia de diferentes estructuras resonantes.  * la posibilidad de utilizar la teor\u00eda \u00ab\u00e1tomos en mol\u00e9culas\u00bb con el fin de tener una idea de la fortaleza de las interacciones calc\u00f3geno-calc\u00f3geno y de los enlaces de hidr\u00f3geno intramoleculares.  * el efecto del enlace calc\u00f3geno-calc\u00f3geno en la estabilidad de estructuras r\u00edgidas como es el caso de los naftalenos, as\u00ed como en la basicidad y acidez de estos sistemas.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Una aproximaci\u00f3n te\u00f3rica a la qu\u00edmica de los calc\u00f3genos<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Una aproximaci\u00f3n te\u00f3rica a la qu\u00edmica de los calc\u00f3genos <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Pablo Sanz Mercado <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de Madrid<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 09\/07\/2003<\/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>Manuel Y\u00e1\u00f1ez Montero<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: rosa Caballol lorenzo <\/li>\n<li>josep Mar\u00eda Lluch l\u00f3pez (vocal)<\/li>\n<li>ignacio Nebot gil (vocal)<\/li>\n<li>Mar\u00eda   inmaculada Higueras sanz (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Pablo Sanz Mercado Mediante la utilizaci\u00f3n de m\u00e9todos te\u00f3ricos como la teor\u00eda gaussian o dft, as\u00ed como [&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":[1],"tags":[12386,12388,29962,39424,71998,37939],"class_list":["post-24520","post","type-post","status-publish","format-standard","hentry","category-sin-categoria","tag-ignacio-nebot-gil","tag-josep-maria-lluch-lopez","tag-manuel-yanez-montero","tag-maria-inmaculada-higueras-sanz","tag-pablo-sanz-mercado","tag-rosa-caballol-lorenzo"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/24520","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=24520"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/24520\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=24520"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=24520"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=24520"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}