{"id":5113,"date":"2014-01-22T12:15:40","date_gmt":"2014-01-22T11:15:40","guid":{"rendered":"http:\/\/10.128.3.28\/?p=5113"},"modified":"2025-01-23T09:35:52","modified_gmt":"2025-01-23T08:35:52","slug":"calculos-realizados-en-el-supercomputador-lusitania-modelan-las-reacciones-de-formacion-de-pirazoles","status":"publish","type":"post","link":"https:\/\/computaex.es\/en\/supercomputacion\/calculos-realizados-en-el-supercomputador-lusitania-modelan-las-reacciones-de-formacion-de-pirazoles\/","title":{"rendered":"C\u00e1lculos realizados en el supercomputador LUSITANIA modelan las reacciones de formaci\u00f3n de pirazoles"},"content":{"rendered":"<p>Cient\u00edficos del grupo\u00a0<a class=\"views-ajax-processed-processed\" href=\"\/en\/proyectos\/quorex\/\">QUOREX<\/a>\u00a0of the\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.unex.es\/\">Universidad de Extremadura<\/a>, en colaboraci\u00f3n con la\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.uni-graz.at\/\">Universidad Karl-Franzens de Graz<\/a>, han podido describir en detalle el mecanismo mediante el que ocurre la formaci\u00f3n de pirazoles. Gracias a c\u00e1lculos de Qu\u00edmica Computacional realizados en el\u00a0<a class=\"views-ajax-processed-processed\" href=\"\/en\/cenits\/lusitania\/\">Supercomputador LUSITANIA<\/a>\u00a0se ha logrado explicar el efecto de la configuraci\u00f3n inicial del precursor y proponer, adem\u00e1s, un nuevo modelo para su interconversi\u00f3n.<\/p>\n<p>Los pirazoles son un tipo de sustancias qu\u00edmicas muy importante debido a su gran n\u00famero de aplicaciones t\u00e9cnicas y propiedades biol\u00f3gicas. Por lo tanto, las industrias Qu\u00edmica y Farmac\u00e9utica han desarrollado varios m\u00e9todos para sintetizar estos compuestos. Uno de los m\u00e1s interesantes es la ciclaci\u00f3n de unos precursores denominados compuestos de vinil diazocarbonilo. La reactividad de estos precursores depende enormemente de su configuraci\u00f3n espacial y hasta ahora no se hab\u00eda podido dar una explicaci\u00f3n a este fen\u00f3meno, que limita considerablemente este m\u00e9todo sint\u00e9tico.<\/p>\n<p>Los resultados del estudio, titulado\u00a0<a class=\"views-ajax-processed-processed\" href=\"\/en\/enlaces\/publicaciones\/effect-configuration-2-vinyldiazocarbonyl-compounds-their-reactivity\/\">Effect of configuration of 2-vinyldiazocarbonyl compounds on their reactivity: experimental and computational study<\/a>, han sido publicados en la prestigiosa revista internacional\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/\/en\/pubs.rsc.org\/en\/journals\/journal\/ob\/\">Organic and Biomolecular<\/a>.<\/p>","protected":false},"excerpt":{"rendered":"<p>Cient\u00edficos del grupo\u00a0QUOREX\u00a0de la\u00a0Universidad de Extremadura, en colaboraci\u00f3n con la\u00a0Universidad Karl-Franzens de Graz, han podido describir en detalle el mecanismo mediante el que ocurre la formaci\u00f3n de pirazoles. Gracias a &#8230;<\/p>","protected":false},"author":1,"featured_media":5114,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[84],"tags":[],"class_list":["post-5113","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-supercomputacion"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.1.1 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>C\u00e1lculos realizados en el supercomputador LUSITANIA modelan las reacciones de formaci\u00f3n de pirazoles - Fundaci\u00f3n COMPUTAEX<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/computaex.es\/en\/supercomputacion\/calculos-realizados-en-el-supercomputador-lusitania-modelan-las-reacciones-de-formacion-de-pirazoles\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"C\u00e1lculos realizados en el supercomputador LUSITANIA modelan las reacciones de formaci\u00f3n de pirazoles - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Cient\u00edficos del grupo\u00a0QUOREX\u00a0de la\u00a0Universidad de Extremadura, en colaboraci\u00f3n con la\u00a0Universidad Karl-Franzens de Graz, han podido describir en detalle el mecanismo mediante el que ocurre la formaci\u00f3n de pirazoles. Gracias a ...\" \/>\n<meta property=\"og:url\" content=\"https:\/\/computaex.es\/en\/supercomputacion\/calculos-realizados-en-el-supercomputador-lusitania-modelan-las-reacciones-de-formacion-de-pirazoles\/\" \/>\n<meta property=\"og:site_name\" content=\"Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"article:publisher\" content=\"https:\/\/m.facebook.com\/computaex\/\" \/>\n<meta property=\"article:published_time\" content=\"2014-01-22T11:15:40+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2025-01-23T08:35:52+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/computaex.es\/wp-content\/uploads\/2025\/01\/quorex-pirazoles.jpg\" \/>\n\t<meta property=\"og:image:width\" content=\"185\" \/>\n\t<meta property=\"og:image:height\" content=\"87\" \/>\n\t<meta property=\"og:image:type\" content=\"image\/jpeg\" \/>\n<meta name=\"author\" content=\"COMPUTAEX\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:creator\" content=\"@computaex\" \/>\n<meta name=\"twitter:site\" content=\"@computaex\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"COMPUTAEX\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 minute\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"Article\",\"@id\":\"https:\/\/computaex.es\/supercomputacion\/calculos-realizados-en-el-supercomputador-lusitania-modelan-las-reacciones-de-formacion-de-pirazoles\/#article\",\"isPartOf\":{\"@id\":\"https:\/\/computaex.es\/supercomputacion\/calculos-realizados-en-el-supercomputador-lusitania-modelan-las-reacciones-de-formacion-de-pirazoles\/\"},\"author\":{\"name\":\"COMPUTAEX\",\"@id\":\"https:\/\/computaex.es\/#\/schema\/person\/56c40e6e76e66bddcd36a39cb6d96e54\"},\"headline\":\"C\u00e1lculos realizados en el supercomputador LUSITANIA modelan las reacciones de formaci\u00f3n de pirazoles\",\"datePublished\":\"2014-01-22T11:15:40+00:00\",\"dateModified\":\"2025-01-23T08:35:52+00:00\",\"mainEntityOfPage\":{\"@id\":\"https:\/\/computaex.es\/supercomputacion\/calculos-realizados-en-el-supercomputador-lusitania-modelan-las-reacciones-de-formacion-de-pirazoles\/\"},\"wordCount\":214,\"publisher\":{\"@id\":\"https:\/\/computaex.es\/#organization\"},\"image\":{\"@id\":\"https:\/\/computaex.es\/supercomputacion\/calculos-realizados-en-el-supercomputador-lusitania-modelan-las-reacciones-de-formacion-de-pirazoles\/#primaryimage\"},\"thumbnailUrl\":\"https:\/\/computaex.es\/wp-content\/uploads\/2025\/01\/quorex-pirazoles.jpg\",\"articleSection\":[\"Supercomputaci\u00f3n\"],\"inLanguage\":\"en-US\"},{\"@type\":\"WebPage\",\"@id\":\"https:\/\/computaex.es\/supercomputacion\/calculos-realizados-en-el-supercomputador-lusitania-modelan-las-reacciones-de-formacion-de-pirazoles\/\",\"url\":\"https:\/\/computaex.es\/supercomputacion\/calculos-realizados-en-el-supercomputador-lusitania-modelan-las-reacciones-de-formacion-de-pirazoles\/\",\"name\":\"C\u00e1lculos realizados en el supercomputador LUSITANIA modelan las reacciones de formaci\u00f3n de pirazoles - 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