{"id":2633,"date":"2024-04-11T09:43:01","date_gmt":"2024-04-11T07:43:01","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2633"},"modified":"2025-08-29T12:14:00","modified_gmt":"2025-08-29T10:14:00","slug":"proyecto-quantum-chemistry-and-molecular-modeling","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyectos\/proyecto-quantum-chemistry-and-molecular-modeling\/","title":{"rendered":"Quantum Chemistry and Molecular Modeling"},"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 title=\"Francisco J. Olivares del Valle\" href=\"http:\/\/www.unex.es\/investigacion\/grupos\/qcamm\/estructura\/personal\/pagina_personal?listado_lineas=1&amp;idpersonal=977\">Francisco J. Olivares del Valle<\/a>. Grupo de investigaci\u00f3n\u00a0<a title=\"Quantum Chemistry And Molecular Modelling Group\" href=\"http:\/\/www.unex.es\/investigacion\/grupos\/qcamm\">Quantum Chemistry And Molecular Modelling<\/a>\u00a0of the\u00a0<a title=\"Universidad de Extremadura\" 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>Estudio cu\u00e1ntico de las interacciones moleculares, fen\u00f3menos y\u00a0 procesos reactivos y no reactivos en fase condensada, tr\u00e1nsitos electr\u00f3nicos y espectroscop\u00eda molecular, procesos de inter\u00e9s biof\u00edsico y bioqu\u00edmico.<\/li>\n<li>Modelizaci\u00f3n y simulaci\u00f3n molecular.<\/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<ul>\n<li>Metodolog\u00eda y aplicaciones de la Mec\u00e1nica Cu\u00e1ntica al estudio de procesos moleculares interactivos, sin y con absorci\u00f3n de radiaci\u00f3n electromagn\u00e9tica.<\/li>\n<li>Qu\u00edmica Cu\u00e1ntica y Qu\u00edmica Computacional.<\/li>\n<li>Elaboraci\u00f3n y desarrollo de c\u00f3digos y programas computacionales.<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n<div class=\"field field-name-field-proy-publicaciones field-type-text-long field-label-above\" style=\"text-align: justify;\">\n<div class=\"field-label\"><strong>Publicaciones y congresos:\u00a0<\/strong><\/div>\n<div class=\"field-items\">\n<div class=\"field-item even\">\n<ul>\n<li>THEORETICAL STUDY OF THE ROLE OF SOLVENT STARK EFFECT IN ELECTRON TRANSITIONS (Theoretical Chemistry Accounts, 128(4-6), 783-793 (2011)).<\/li>\n<li>ON THE ABSORPTION PROPERTIES OF THE EXCITED STATES OF DMABN (Chemical Physics Letters, 499(1-3), 100-102 (2010)).<\/li>\n<li>QUANTUM MECHANICAL APPROACH TO SOLVENT EEFFECTS ON THE OPTICAL PROPERTIES OF METAL NANOPARTICLES AND THEIR EFFICIENCY AS EXCITATION ENERGY TRANSFER ACCEPTORS (Journal of Physical Chemistry C; 114(3), 1553-1561 (2010))<\/li>\n<li>THEORETICAL STUDY OF THE COMPETITION BETWEEN INTRAMOLECULAR HYDROGEN BONDS AND SOLVATION IN THE CYS-ASN-SER TRIPEPTIDE (Journal of Physical Chemistry B,114(27), 8961-8970 (2010)).<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n<div class=\"field field-name-field-proy-financiacion field-type-text-long field-label-above\" style=\"text-align: justify;\">\n<div class=\"field-label\"><strong>Sources of funding:\u00a0<\/strong><\/div>\n<div class=\"field-items\">\n<div class=\"field-item even\">\n<ul>\n<li><a title=\"Ministerio de Educaci\u00f3n y Ciencia\" href=\"http:\/\/www.educacion.gob.es\/portada.html\">Ministerio de Educaci\u00f3n y Ciencia<\/a>.<\/li>\n<li><a title=\"Regional Government of Extremadura\" href=\"http:\/\/www.juntaex.es\/juntaex\/\">Regional Government of Extremadura<\/a>.<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n<div class=\"field field-name-taxonomy-vocabulary-4 field-type-taxonomy-term-reference field-label-hidden\"><\/div>","protected":false},"excerpt":{"rendered":"<p>Investigadores:\u00a0 Francisco J. Olivares del Valle. Grupo de investigaci\u00f3n\u00a0Quantum Chemistry And Molecular Modelling\u00a0de la\u00a0Universidad de Extremadura. Objetivos:\u00a0 Estudio cu\u00e1ntico de las interacciones moleculares, fen\u00f3menos y\u00a0 procesos reactivos y no reactivos &#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-2633","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>Quantum Chemistry and Molecular Modeling - 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-quantum-chemistry-and-molecular-modeling\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Quantum Chemistry and Molecular Modeling - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores:\u00a0 Francisco J. 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