{"id":2650,"date":"2024-04-11T09:48:26","date_gmt":"2024-04-11T07:48:26","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2650"},"modified":"2025-08-29T12:14:00","modified_gmt":"2025-08-29T10:14:00","slug":"proyecto-quimica-computacional","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyectos\/proyecto-quimica-computacional\/","title":{"rendered":"Qu\u00edmica Computacional"},"content":{"rendered":"<div class=\"field field-name-field-proy-investigadores field-type-text-long field-label-above\">\n<div class=\"field-label\" style=\"text-align: justify;\"><strong>Researchers:\u00a0<\/strong><\/div>\n<div class=\"field-items\" style=\"text-align: justify;\">\n<div class=\"field-item even\">\n<ul>\n<li><a href=\"http:\/\/www.unex.es\/unex\/departamentos\/ficha_personal?idDpto=Y063&amp;personal=1&amp;idPersonal=68BEE5C275162286D79BCF02FA6C9D42\">Jos\u00e9 Carlos Corchado Mart\u00edn-Romo<\/a>\u00a0del departamento de\u00a0<a href=\"http:\/\/www.unex.es\/unex\/departamentos\/ficha_estructura?idDpto=Y063&amp;estructura=1\">Ingenier\u00eda Qu\u00edmica y Qu\u00edmica F\u00edsica<\/a>\u00a0of the\u00a0<a href=\"http:\/\/www.unex.es\/\">Universidad de Extremadura<\/a>.<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n<div class=\"field field-name-field-proy-objetivos field-type-text-long field-label-above\" style=\"text-align: justify;\">\n<div class=\"field-label\"><strong>Objectives:\u00a0<\/strong><\/div>\n<div class=\"field-items\">\n<div class=\"field-item even\">\n<ul>\n<li>Desarrollar metodolog\u00edas para la simulaci\u00f3n de procesos de reactividad qu\u00edmica en fase gaseosa y en disoluci\u00f3n.<\/li>\n<li>Estudio de propiedades fisico-qu\u00edmicas de mol\u00e9culas en fase l\u00edquida, gaseosa o en disoluci\u00f3n.<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n<div class=\"field field-name-field-proy-metodologia field-type-text-long field-label-above\" style=\"text-align: justify;\">\n<div class=\"field-label\"><strong>Metodolog\u00eda:\u00a0<\/strong><\/div>\n<div class=\"field-items\">\n<div class=\"field-item even\">\n<p>Aplicaci\u00f3n al estudio de reacciones de inter\u00e9s atmosf\u00e9rico o biol\u00f3gico en fase gaseosa o condensada mediante la aplicaci\u00f3n de metodolog\u00edas cin\u00e9ticas (teor\u00edas del estado de transici\u00f3n) y din\u00e1micas (c\u00e1lculos de trayectorias cl\u00e1sicas, cuasicl\u00e1sicas o cu\u00e1nticas, c\u00e1lculos de din\u00e1mica molecular).<\/p>\n<p>Para ello ser\u00e1 necesario emplear y desarrollar programas principalmente en lenguajes Fortran y C.<\/p>\n<\/div>\n<\/div>\n<\/div>","protected":false},"excerpt":{"rendered":"<p>Investigadores:\u00a0 Jos\u00e9 Carlos Corchado Mart\u00edn-Romo\u00a0del departamento de\u00a0Ingenier\u00eda Qu\u00edmica y Qu\u00edmica F\u00edsica\u00a0de la\u00a0Universidad de Extremadura. Objetivos:\u00a0 Desarrollar metodolog\u00edas para la simulaci\u00f3n de procesos de reactividad qu\u00edmica en fase gaseosa y en &#8230;<\/p>","protected":false},"author":1,"featured_media":0,"parent":9950,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[103,81],"tags":[],"class_list":["post-2650","page","type-page","status-publish","hentry","category-ciencias-de-la-vida","category-proyectos"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.6 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Qu\u00edmica Computacional - 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\/proyectos\/proyecto-quimica-computacional\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Qu\u00edmica Computacional - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores:\u00a0 Jos\u00e9 Carlos Corchado Mart\u00edn-Romo\u00a0del departamento de\u00a0Ingenier\u00eda Qu\u00edmica y Qu\u00edmica F\u00edsica\u00a0de la\u00a0Universidad de Extremadura. 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