{"id":5012,"date":"1995-01-01T00:00:00","date_gmt":"1995-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/1995\/01\/01\/analisis-del-espectro-infrarrojo-del-agua-mediante-simulaciones-de-dinamica-molecular\/"},"modified":"1995-01-01T00:00:00","modified_gmt":"1995-01-01T00:00:00","slug":"analisis-del-espectro-infrarrojo-del-agua-mediante-simulaciones-de-dinamica-molecular","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/analisis-del-espectro-infrarrojo-del-agua-mediante-simulaciones-de-dinamica-molecular\/","title":{"rendered":"\u00abanalisis del espectro infrarrojo del agua mediante simulaciones de dinamica molecular\u00bb."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Jordi Marti Rabassa <\/strong><\/h2>\n<p>El espectro infrarrojo del agua se puede dividir en varias regiones: en el infrarrojo lejano (10-300 cm-1) se detectan movimientos microscopicos de translaciones restringidas de una molecula en la \u00abcaja\u00bb formada por sus vecinas (  50 cm-1), asi como una vibracion de tension de puentes de hidrogeno (  200 cm-1), ambas detectadas en las simulaciones. En la zona del infrarrojo medio (300-4000 cm-1), se perciben movimientos de libracion y vibraciones internas de la molecula de agua. Los hidrogenos que forman puentes reducen su procentaje cuando aumenta la temperatura del sistema. El tiempo de vida de los puentes de hidrogeno se reduce con la temperatura creciente. Por otro lado, las simulaciones realizadas con el modelo spc reproducen la estructura del agua a nivel microscopico tambien es estado de vapor y muestran una escasa pero significativa presencia de puentes de hidrogeno en dicho estado termodinamico. El estudio de la relajacion del momento dipolar muestra una importante y no despreciable contribucion de las correlaciones cruzadas.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>\u00abanalisis del espectro infrarrojo del agua mediante simulaciones de dinamica molecular\u00bb.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 \u00abanalisis del espectro infrarrojo del agua mediante simulaciones de dinamica molecular\u00bb. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Jordi Marti Rabassa <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1995<\/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> Padro Cardenas Juan  Angel<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Antoni Gir\u00f3 Roca <\/li>\n<li>Antonio Calvo Hernandez (vocal)<\/li>\n<li>Javier Nu\u00f1ez Delgado (vocal)<\/li>\n<li>Modesto Orozco L\u00f3pez (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Jordi Marti Rabassa El espectro infrarrojo del agua se puede dividir en varias regiones: en el infrarrojo [&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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