{"id":36579,"date":"1998-01-01T00:00:00","date_gmt":"1998-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/caracterizacion-de-enlaces-de-hidrogeno-inter-e-intramoleculares-estudio-teorico-de-casos-significativos\/"},"modified":"1998-01-01T00:00:00","modified_gmt":"1998-01-01T00:00:00","slug":"caracterizacion-de-enlaces-de-hidrogeno-inter-e-intramoleculares-estudio-teorico-de-casos-significativos","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/caracterizacion-de-enlaces-de-hidrogeno-inter-e-intramoleculares-estudio-teorico-de-casos-significativos\/","title":{"rendered":"Caracterizacion de enlaces de hidrogeno inter e intramoleculares. estudio teorico de casos significativos."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Leticia Gonzalez Herrero <\/strong><\/h2>\n<p>En esta tesis se han estudiado una serie de sistemas que presentan enlaces de hidr\u00f3geno inter e intramoleculares entre los que se cuentan clusters de agua, per\u00f3xido de hidr\u00f3geno agua-metanol y \u00e1cidos fosf\u00ednicos, as\u00ed como tioxocetonas. Se ha probado que la teor\u00eda de funcionales de densidad y en particular el funcional b3lyp reproducen con bastante precisi\u00f3n resultados, tanto experimentales como te\u00f3ricos de alto nivel. Se han caracterizado dichos enlaces mediante geometr\u00edas, an\u00e1lisis topol\u00f3gicos de densidades electr\u00f3nicas, frecuencias de vibraci\u00f3n y energ\u00edas de asociaci\u00f3n. Se ha encontrado una correlaci\u00f3n de la fortaleza del enlace de hidr\u00f3geno con la densidad de carga y con la frecuencia de tensi\u00f3n del grupo xh. Se ha mostrado que la transferencia prot\u00f3nica es un proceso predecible en t\u00e9rminos \u00e1cido-base. En el caso de la protonaci\u00f3n, la transferencia prot\u00f3nica implica un solo m\u00ednimo. As\u00ed mismo, se han descrito las caracter\u00edsticas de sistemas que pueden guiar futuros estudios experimentales, especialmente de ir y mw. Adem\u00e1s, se ha encontrado un sistema prototipo de l\u00e1ser de ir.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Caracterizacion de enlaces de hidrogeno inter e intramoleculares. estudio teorico de casos significativos.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Caracterizacion de enlaces de hidrogeno inter e intramoleculares. estudio teorico de casos significativos. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Leticia Gonzalez Herrero <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de Madrid<\/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>Otilia Mo Romero<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Jose Elguero Bertolini <\/li>\n<li>Juan  Jos\u00e9 Novoa Vide (vocal)<\/li>\n<li>Jaime Rubio Martinez (vocal)<\/li>\n<li>Juan Bertr\u00e1n Rusca (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Leticia Gonzalez Herrero En esta tesis se han estudiado una serie de sistemas que presentan enlaces 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 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