{"id":131106,"date":"1996-01-01T00:00:00","date_gmt":"1996-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estudio-de-la-densidad-electronica-del-compuesto-fosfato-acido-de-2-amino-5-nitropiridinio\/"},"modified":"1996-01-01T00:00:00","modified_gmt":"1996-01-01T00:00:00","slug":"estudio-de-la-densidad-electronica-del-compuesto-fosfato-acido-de-2-amino-5-nitropiridinio","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/estudio-de-la-densidad-electronica-del-compuesto-fosfato-acido-de-2-amino-5-nitropiridinio\/","title":{"rendered":"Estudio de la densidad electronica del compuesto fosfato acido de 2-amino-5-nitropiridinio."},"content":{"rendered":"<h2>Tesis doctoral de <strong>  Puig Molina Anna M. <\/strong><\/h2>\n<p>En este trabajo se estudia la densidad electronica experimental y la densidad electronica teorica del compuesto fosfato acido de 2-amino-5-nitropiridinio (2a5npdp). Este compuesto presenta propiedades opticas no lineales de interes: es un doblador de frecuencia en el azul, promete como amplificador parametrico a      =1.5 m(longitud de onda interesante para fibras opticas) y posee direcciones de acuerdo de fase.  su densidad electronica experimental se ha determinado a partir de un experimento de difraccion de rayos x de monocristal a 122k realizado con un difractometro philips pw1100. Esta densidad se estudia mediante mapas de densidad de deformacion y mediante el analisis topologico de la funcion. Sus momentos externos en el cation, en el anion y en la unidad molecular se evaluan por integracion directa de la densidad electronica y a partir de los parametros deducidos en afinamientos de minimos cuadrados de la estructura basados en los modelos kappa y multipolar.  la densidad electronica teorica del cation y del anion se ha determinado a partir de calculos ab initio hf\/6-311+g** realizados con el programa games. Su estudio topologico se compara con el de la densidad electronica experimental. Mediante calculos semiempiricos (am1 y pm3) y los calculos ab initio se determinan los momentos externos de la densidad electronica teorica y se comparan con los resultados experimentales.  finalmente se intenta relacionar los momentos cuadrupolar y octopolar de la densidad electronica con los tensores de polarizabilidad e hiperpolarizabilidad teoricos del compuesto.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudio de la densidad electronica del compuesto fosfato acido de 2-amino-5-nitropiridinio.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudio de la densidad electronica del compuesto fosfato acido de 2-amino-5-nitropiridinio. <\/li>\n<li><strong>Autor:<\/strong>\u00a0  Puig Molina Anna M. <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1996<\/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> Piniella Febrer Juan  F.<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal:  Pascual De Sans Ramon <\/li>\n<li>Elies Molins Grau (vocal)<\/li>\n<li>Joseph Zyss (vocal)<\/li>\n<li> Brianso Penalva Jos\u00e9 Luis (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Puig Molina Anna M. En este trabajo se estudia la densidad electronica experimental y la densidad electronica [&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":[12152,199,1008],"tags":[74110,19193,181925,3317,173873,244836],"class_list":["post-131106","post","type-post","status-publish","format-standard","hentry","category-cristalografia","category-fisica","category-fisica-del-estado-solido","tag-brianso-penalva-jose-luis","tag-elies-molins-grau","tag-joseph-zyss","tag-pascual-de-sans-ramon","tag-piniella-febrer-juan-f","tag-puig-molina-anna-m"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/131106","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=131106"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/131106\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=131106"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=131106"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=131106"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}