{"id":39112,"date":"1999-01-01T00:00:00","date_gmt":"1999-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/utilizacion-de-potenciales-abinitio-en-la-simulacion-de-sistemas-y-procesos-quimicos-asociacion-por-puente-de-hidrogeno-en-disolucion\/"},"modified":"1999-01-01T00:00:00","modified_gmt":"1999-01-01T00:00:00","slug":"utilizacion-de-potenciales-abinitio-en-la-simulacion-de-sistemas-y-procesos-quimicos-asociacion-por-puente-de-hidrogeno-en-disolucion","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/utilizacion-de-potenciales-abinitio-en-la-simulacion-de-sistemas-y-procesos-quimicos-asociacion-por-puente-de-hidrogeno-en-disolucion\/","title":{"rendered":"Utilizacion de potenciales abinitio en la simulacion de sistemas y procesos quimicos. asociacion por puente de hidrogeno en disolucion."},"content":{"rendered":"<h2>Tesis doctoral de <strong>  Sanson Martin Jorge  A. <\/strong><\/h2>\n<p>En la tesis se realiza un estudio sobre la solvataci\u00f3n de mol\u00e9culas y c\u00f3mo la presencia de un medio acuoso influye en fen\u00f3meno y procesos qu\u00edmicos. En concreto se realizan simulaciones con din\u00e1mica molecular de disoluciones acuosas a diluci\u00f3n infinita de varias mol\u00e9culas: fomaldehido, formamiada y el asociado por puente de hidr\u00f3geno formamida-formaldeh\u00eddo.  para ello se utilizan diferentes funciones potenciales del tipo lennard-jones 12-6 con la incorporaci\u00f3n de un t\u00e9rmino electrost\u00e1tico, obtenidas al ajustar las energ\u00edas de interacci\u00f3n soluto-disolvente. En este tesis se eval\u00faan diferentes propiedades est\u00e1ticas (funciones termodin\u00e1micas y de distribuci\u00f3n radial) y din\u00e1micas (funciones de correlaci\u00f3n de tiempo y espectros ir asociados a los \u00e1tomos implicados en los enlaces intermoleculares). As\u00ed mismo se realizan simulaciones de procesos qu\u00edmicos en disoluci\u00f3n, como son las asociaciones moleculares por puente de hidr\u00f3geno y la transferencia prot\u00f3nica del sistema dador al aceptor.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Utilizacion de potenciales abinitio en la simulacion de sistemas y procesos quimicos. asociacion por puente de hidrogeno en disolucion.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Utilizacion de potenciales abinitio en la simulacion de sistemas y procesos quimicos. asociacion por puente de hidrogeno en disolucion. <\/li>\n<li><strong>Autor:<\/strong>\u00a0  Sanson Martin Jorge  A. <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Extremadura<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1999<\/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>Santiago Tolosa Arroyo<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: alberto Requena rodriguez <\/li>\n<li>Francisco Cuadros blazquez (vocal)<\/li>\n<li>angel Lopez pi\u00f1eiro (vocal)<\/li>\n<li>Jos\u00e9 Zu\u00f1aga roman (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Sanson Martin Jorge A. En la tesis se realiza un estudio sobre la solvataci\u00f3n de mol\u00e9culas y [&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":[651,949,199,560,11599],"tags":[24906,33358,77668,101023,101021,101022],"class_list":["post-39112","post","type-post","status-publish","format-standard","hentry","category-espectroscopia-molecular-en-quimica-fisica","category-extremadura","category-fisica","category-quimica-fisica","category-teoria-cuantica","tag-alberto-requena-rodriguez","tag-angel-lopez-pineiro","tag-francisco-cuadros-blazquez","tag-jose-zunaga-roman","tag-sanson-martin-jorge-a","tag-santiago-tolosa-arroyo"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/39112","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=39112"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/39112\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=39112"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=39112"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=39112"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}