{"id":31978,"date":"1997-01-01T00:00:00","date_gmt":"1997-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/determinacion-de-superficies-de-energia-potencial-en-sistemas-ion-molecula\/"},"modified":"1997-01-01T00:00:00","modified_gmt":"1997-01-01T00:00:00","slug":"determinacion-de-superficies-de-energia-potencial-en-sistemas-ion-molecula","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/determinacion-de-superficies-de-energia-potencial-en-sistemas-ion-molecula\/","title":{"rendered":"Determinacion de superficies de energia potencial en sistemas ion-molecula."},"content":{"rendered":"<h2>Tesis doctoral de <strong>  Ramiro Diaz Jos\u00e9 Bruno <\/strong><\/h2>\n<p>El trabajo desarrolla un procedimiento para obtener superficies de energia potencial. Esta especialmente adaptado a sistemas ion molecula, complicados dada la diferente estructura de los canales del proceso de transferencia de carga que se reproducen con calculos identicos. El metodo utiliza informacion experimental o teorica sobre la estructura electronica de la molecula aislada, mientras que la interaccion ion-molecula se estudia de forma ab initio.  se usa un pseudopotencial ab intio, i-dependiente para limitar el calculo a los electrones activos. Los orbitales moleculares se obtienen por un metodo de enlace de Valencia proyectado, a partir de om scf de la molecula y el atomo, lo que permite el tratamiento selectivo de distintas interacciones. Por ultimo se aplican correcciones a la diagonal del hamiltoniano, lo que asegura un comportamiento energetico asintoticamente correcto del sistema.  el metodo se aplica a dos sistemas: (o2-h)+ y (o2-kr)+.  en el primero se obtienen superficies con precision suficiente para estudiar la transferencia de carga. En el segundo se aporta informacion exhaustiva e inexistente hasta la fecha en la bibliografia.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Determinacion de superficies de energia potencial en sistemas ion-molecula.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Determinacion de superficies de energia potencial en sistemas ion-molecula. <\/li>\n<li><strong>Autor:<\/strong>\u00a0  Ramiro Diaz Jos\u00e9 Bruno <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Polit\u00e9cnica de Madrid<\/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>Perla Wahn\u00f3n Benarroch<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal:  Salas Peralta Pedro Jes\u00fas <\/li>\n<li>Rafael Lopez Fernandez (vocal)<\/li>\n<li>Victor Sidis (vocal)<\/li>\n<li>Jos\u00e9 Manuel Garc\u00eda De La Vega (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Ramiro Diaz Jos\u00e9 Bruno El trabajo desarrolla un procedimiento para obtener superficies de energia potencial. Esta especialmente [&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":[199,16008,560,50010],"tags":[27450,30218,88649,88647,88648,88650],"class_list":["post-31978","post","type-post","status-publish","format-standard","hentry","category-fisica","category-politecnica-de-madrid","category-quimica-fisica","category-teoria-de-la-valencia","tag-jose-manuel-garcia-de-la-vega","tag-perla-wahnon-benarroch","tag-rafael-lopez-fernandez","tag-ramiro-diaz-jose-bruno","tag-salas-peralta-pedro-jesus","tag-victor-sidis"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/31978","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=31978"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/31978\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=31978"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=31978"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=31978"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}