{"id":5526,"date":"2013-05-13T09:10:00","date_gmt":"2013-05-13T07:10:00","guid":{"rendered":"http:\/\/10.128.3.28\/?p=5526"},"modified":"2025-01-23T12:52:28","modified_gmt":"2025-01-23T11:52:28","slug":"investigadores-de-la-universidad-de-extremadura-publican-en-revista-internacional-de-quimica-organica","status":"publish","type":"post","link":"https:\/\/computaex.es\/en\/publicaciones\/investigadores-de-la-universidad-de-extremadura-publican-en-revista-internacional-de-quimica-organica\/","title":{"rendered":"Investigadores de la Universidad de Extremadura publican en revista internacional de Qu\u00edmica Org\u00e1nica"},"content":{"rendered":"<p>El grupo de investigaci\u00f3n de Qu\u00edmica Org\u00e1nica de la\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.unex.es\/\">Universidad de Extremadura<\/a>,\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.unex.es\/investigacion\/grupos\/quorex\/\">QUOREX<\/a>, ha publicado recientemente el art\u00edculo cient\u00edfico titulado \u00ab<strong>Schiff Bases from TRIS and ortho-Hydroxyarenecarbaldehydes: Structures and Tautomeric Equilibria in the Solid State and in Solution<\/strong>\u00bb en la prestigiosa revista internacional\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/\/en\/onlinelibrary.wiley.com\/journal\/10.1002\/%28ISSN%291099-0690\/issues\/\">European Journal of Organic Chemistry<\/a>.<\/p>\n<p>The\u00a0<a class=\"views-ajax-processed-processed\" href=\"\/en\/cenits\/lusitania\/\">supercomputador LUSITANIA<\/a>\u00a0ha permitido simular, a trav\u00e9s de c\u00e1lculos DFT a alto nivel, la influencia del empaquetamiento cristalino sobre la estabilidad del taut\u00f3mero predominante en estado s\u00f3lido. As\u00ed, se ha simulado un cluster supramolecular en torno a una mol\u00e9cula central con estructura de imina y de enamina. Este estudio ha mostrado la mayor estabilidad de las formas enam\u00ednicas en el cluster, en total concordancia con la estructura encontrada en estado s\u00f3lido.<\/p>\n<p>M\u00e1s informaci\u00f3n de la publicaci\u00f3n:<\/p>\n<ul>\n<li><a class=\"views-ajax-processed-processed\" title=\"Schiff Bases from TRIS and ortho-Hydroxyarenecarbaldehydes: Structures and Tautomeric Equilibria in the Solid State and in Solution\" href=\"\/en\/enlaces\/publicaciones\/schiff-bases-tris-and-ortho-hydroxyarenecarbaldehydes-structures-and-tautomeri\/\">Schiff Bases from TRIS and ortho-Hydroxyarenecarbaldehydes: Structures and Tautomeric Equilibria in the Solid State and in Solution<\/a><\/li>\n<\/ul>\n<p>Informaci\u00f3n relacionada:<\/p>\n<ul>\n<li><a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.unex.es\/investigacion\/grupos\/quorex\/\">QUOREX en la Universidad de Extremadura<\/a><\/li>\n<li><a class=\"views-ajax-processed-processed\" href=\"\/en\/proyectos\/quorex\/\">QUOREX en C\u00e9nitS-COMPUTAEX<\/a><\/li>\n<\/ul>","protected":false},"excerpt":{"rendered":"<p>El grupo de investigaci\u00f3n de Qu\u00edmica Org\u00e1nica de la\u00a0Universidad de Extremadura,\u00a0QUOREX, ha publicado recientemente el art\u00edculo cient\u00edfico titulado \u00abSchiff Bases from TRIS and ortho-Hydroxyarenecarbaldehydes: Structures and Tautomeric Equilibria in the &#8230;<\/p>","protected":false},"author":1,"featured_media":5527,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[91],"tags":[],"class_list":["post-5526","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-publicaciones"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.1.1 - 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