{"id":32713,"date":"1997-01-01T00:00:00","date_gmt":"1997-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estudio-teorico-en-fase-gas-y-disolucion-acuosa-de-la-unidad-n-c-co-en-compuestos-lineales-y-en-derivados-de-pirrolidina-y-piperidina\/"},"modified":"1997-01-01T00:00:00","modified_gmt":"1997-01-01T00:00:00","slug":"estudio-teorico-en-fase-gas-y-disolucion-acuosa-de-la-unidad-n-c-co-en-compuestos-lineales-y-en-derivados-de-pirrolidina-y-piperidina","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica\/estudio-teorico-en-fase-gas-y-disolucion-acuosa-de-la-unidad-n-c-co-en-compuestos-lineales-y-en-derivados-de-pirrolidina-y-piperidina\/","title":{"rendered":"Estudio teorico en fase gas y disolucion acuosa de la unidad n-c-c=o en compuestos lineales y en derivados de pirrolidina y piperidina."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Ignacio Perez Juste <\/strong><\/h2>\n<p>Por medio de calculos teoricos de om ab initio, complementados con el analisis nbo de funciones de onda se han estudiados una serie de compuestos lineales y ciclicos que contienen la unidad n-c-c=o. Se ha estimado la influencia del agua en el analisis conformacional de estos compuestos mediante el metodo pcm.  la descomposicion mediante una serie de fourier de las barreras de rotacion de la serie de compuestos lineales permite establecer el origen de las mismas. Con respecto a los compuestos ciclicos la presencia de enlace de hidrogeno y las interacciones estericas entre sustituyentes son determinantes en las estabilidades relativas. Se han estudiado tambien los anillos basicos que contienen nitrogeno: para la pirrolidina se ha encontrado una gran dependencia del metodo teorico empleado en la descripcion de la pseudorotacion. Para la piperidina y derivados el empleo de bases polarizadas es suficiente para describir los equilibrios axial\/ecuatorial del grupo n-r, pero la correlacion electronica es necesaria para los equilibrios del metilo.  el analisis nbo permite interpretar las diferentes estabilidades en terminos de interacciones estericas o delocalizacion entre los diferentes orbitales localizados.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudio teorico en fase gas y disolucion acuosa de la unidad n-c-c=o en compuestos lineales y en derivados de pirrolidina y piperidina.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudio teorico en fase gas y disolucion acuosa de la unidad n-c-c=o en compuestos lineales y en derivados de pirrolidina y piperidina. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Ignacio Perez Juste <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Vigo<\/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>Luis Carballeira Oca\u00f1a<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Miguel Angel Rios Fern\u00e1ndez <\/li>\n<li>Jos\u00e9 Molina Molina (vocal)<\/li>\n<li>Christian Van Alsenoy (vocal)<\/li>\n<li>Saulo A. V\u00e1zquez Rodr\u00edguez (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Ignacio Perez Juste Por medio de calculos teoricos de om ab initio, complementados con el analisis nbo [&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":[199,1272,17,416,18657],"tags":[89869,89867,2273,89868,21412,39519],"class_list":["post-32713","post","type-post","status-publish","format-standard","hentry","category-fisica","category-fisica-molecular","category-quimica","category-quimica-organica","category-vigo","tag-christian-van-alsenoy","tag-ignacio-perez-juste","tag-jose-molina-molina","tag-luis-carballeira-ocana","tag-miguel-angel-rios-fernandez","tag-saulo-a-vazquez-rodriguez"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/32713","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=32713"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/32713\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=32713"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=32713"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=32713"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}