{"id":34530,"date":"1998-01-01T00:00:00","date_gmt":"1998-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/simulacion-de-la-relajacion-vibracional-en-moleculas-localmente-excitadas\/"},"modified":"1998-01-01T00:00:00","modified_gmt":"1998-01-01T00:00:00","slug":"simulacion-de-la-relajacion-vibracional-en-moleculas-localmente-excitadas","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/simulacion-de-la-relajacion-vibracional-en-moleculas-localmente-excitadas\/","title":{"rendered":"Simulacion de la relajacion vibracional en moleculas localmente excitadas."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Claudio Mu\u00f1oz Crego <\/strong><\/h2>\n<p>Dentro del marco de los procesos de transferencia de energ\u00eda vibracional subsiguientes a la excitaci\u00f3n de un modo local. Por un lado hemos propuesto el primer tratamiento te\u00f3rico que trata de explicar el proceso de transferencia de energ\u00eda vibracional, donde la relajaci\u00f3n intermolecular precede el proceso de relajaci\u00f3n intramolecular (ivr). En concreto se han presentado varios modelo de din\u00e1mica molecular, un de dos modos vibracionales y varios de tres modos vibracionales para el estudio de la transferencia de energ\u00eda vibracional entre dos mol\u00e9culas de pirrol acopladas v\u00eda enlace de hidr\u00f3geno, basado en la hip\u00f3tesis de la existencia de un mecanismo de resonancia anarm\u00f3nica intermolecular. Con este modelo sencillo hemos ilustrado cualitativamente y semi cuantitativamente el mecanismo del proceso de relajaci\u00f3n del modo de tensi\u00f3n de enlace nh inicialmente independiente de tiempo (vscf+rrgm) para el c\u00e1lculo de espectros de sobretonos vibracionales de sistemas con grandes dimensiones (m\u00e1s de 100000 estados). Se trata de m\u00e9todo que combina dos de los m\u00e9todos actuales m\u00e1s potentes; el scf (self-consistent-field) y el rrgm (range residue generation method). El estudio posterior de los espectros de sobretonos de la mol\u00e9cula de fluoroformo, en particular los estados altamente excitados con alta densidad de estado han mostrado que el m\u00e9todo puede ser notablemente m\u00e1s eficiente en tiempo de computaci\u00f3n y espacio memoria que el m\u00e9todo rrgm.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Simulacion de la relajacion vibracional en moleculas localmente excitadas.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Simulacion de la relajacion vibracional en moleculas localmente excitadas. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Claudio Mu\u00f1oz Crego <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Complutense 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>Jes\u00fas Santamaria Antonio<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Francisco Javier Aoiz Moleres <\/li>\n<li>Alberto Garcia Vela (vocal)<\/li>\n<li>Rafael Escribano Torres (vocal)<\/li>\n<li>Christpphe Iung (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Claudio Mu\u00f1oz Crego Dentro del marco de los procesos de transferencia de energ\u00eda vibracional subsiguientes a la [&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":[199,1272,560],"tags":[59666,93094,93093,39214,5758,7368],"class_list":["post-34530","post","type-post","status-publish","format-standard","hentry","category-fisica","category-fisica-molecular","category-quimica-fisica","tag-alberto-garcia-vela","tag-christpphe-iung","tag-claudio-munoz-crego","tag-francisco-javier-aoiz-moleres","tag-jesus-santamaria-antonio","tag-rafael-escribano-torres"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/34530","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=34530"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/34530\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=34530"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=34530"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=34530"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}