{"id":149,"date":"2016-09-26T16:29:58","date_gmt":"2016-09-26T16:29:58","guid":{"rendered":"http:\/\/qcexval.uv.es\/?page_id=149"},"modified":"2021-04-19T17:24:42","modified_gmt":"2021-04-19T17:24:42","slug":"2011-2","status":"publish","type":"page","link":"http:\/\/qcexval.uv.es\/?page_id=149","title":{"rendered":"2011"},"content":{"rendered":"<h2>List of QCEXVAL contributions in 2011<\/h2>\n<ul>\n<li>\n<h3><strong>Course<\/strong>: <em><a href=\"http:\/\/www.tccmvlc.org\/index.php\">&#8220;6th IIC-EMTCCM, International Intensive Course &#8211; European Master in Theoretical Chemistry and Computational Modelling&#8221;<\/a><\/em><\/h3>\n<p>Universitat de Val\u00e8ncia (ICMol), Val\u00e8ncia, SPAIN, 12th September &#8211; 8th October, 2011<br \/>\n<strong>Contributions<\/strong>: Professor<\/p>\n<ul>\n<li><u>D. Roca-Sanju\u00e1n<\/u><br \/>\n<strong>Course<\/strong>: <em>&#8220;Computational Photochemistry in Biological Systems&#8221;<\/em><\/li>\n<\/ul>\n<\/li>\n<li>\n<h3><strong>Congress<\/strong>: <em><a href=\"http:\/\/abstracts.acs.org\/chem\/242nm\/meetingview.php?page=division\">&#8220;21<sup>er<\/sup> Encuentro Ib\u00e9rico para la Ense\u00f1anza de la F\u00edsica. XXXIII Reuni\u00f3n Bienal de la Real Sociedad Espa\u00f1ola de F\u00edsica&#8221;<\/a><\/em><\/h3>\n<p>Santander (Espa\u00f1a), 19 de Septiembre &#8211; 1 de Octubre de 2011<br \/>\n<strong>Contributions<\/strong>:<\/p>\n<ul>\n<li>D. R. Alcoba, A. Chana, J. Z. D\u00e1valos, F. J. Gonz\u00e1lez, A. Guerrero, D. J. Klein, M. Merch\u00e1n, <u>J. M. Oliva<\/u>, V. Sauri.<br \/>\n<strong>Poster<\/strong>: <em>&#8220;Molecular Architectures in Polyhedral Heteroboranes: Interplay between Physics and Chemistry&#8221;<\/em><\/li>\n<\/ul>\n<\/li>\n<li>\n<h3><strong>Congress<\/strong>: <em><a href=\"http:\/\/abstracts.acs.org\/chem\/242nm\/meetingview.php?page=division\">&#8220;242nd ACS National Meeting &amp; Exposition. Chemistry of Air, Space &amp; Water&#8221;<\/a><\/em><\/h3>\n<p>ACS, Denver, Colorado, USA, 28th August &#8211; 1st September, 2011<br \/>\n<strong>Contributions<\/strong>:<\/p>\n<ul>\n<li><u>D. Roca-Sanju\u00e1n<\/u> and M. Merch\u00e1n<br \/>\n<strong>Invited Conference<\/strong>: <em>&#8220;Towards the Understanding of DNA Photochemistry: Monomers and Dimers of Nucleobases&#8221;<\/em><\/li>\n<\/ul>\n<\/li>\n<li>\n<h3><strong>Congress<\/strong>: <em><a href=\"http:\/\/watoc2011satelliteconferencecoruna.webs.com\/\">&#8220;Strongly correlated systems, cooperativity, and valence-bond theory&#8221;<\/a><\/em><\/h3>\n<p>A Coru\u00f1a (Espa\u00f1a), 23-24 de Julio de 2011<br \/>\n<strong>Contributions<\/strong>:<\/p>\n<ul>\n<li>T. G. Schmalz, L. Serrano-Andr\u00e9s, <u>V. Sauri<\/u>, M. Merch\u00e1n, and J. M. Oliva<br \/>\n<strong>Poster<\/strong>: <em>&#8220;Parametrization of the Extended Hubbard Model for Hydrocarbons Derived from RASPT2 Potential Energy Curves of Stretched Ethene&#8221;<\/em><\/li>\n<\/ul>\n<\/li>\n<li>\n<h3><strong>Congress<\/strong>: <em><a href=\"http:\/\/iqc.udg.edu\/excst2011\/\">&#8220;Excited States and Non-Adiabatic Processes in Complex Systems. Theoretical Approaches&#8221;<\/a><\/em><\/h3>\n<p>Universitat Rovira i Virgili and Universitat de Girona, Sant Feliu de Guixols, Girona, SPAIN, 25th-27th July 2011<br \/>\n<strong>Contributions<\/strong>:<\/p>\n<ul>\n<li><u>D. Roca-Sanju\u00e1n<\/u>, J. J. Serrano-P\u00e9rez, G. Olaso-Gonz\u00e1lez, I. Gonz\u00e1lez-Ram\u00edrez, P. B. Coto, T. Climent, V. Sauri, A. Giussani, J. Segarra, J. P. Gobbo, M. Rubio, V. P\u00e9rez, R. Gonz\u00e1lez-Luque, L. Serrano-Andr\u00e9s, and M. Merch\u00e1n<br \/>\n<strong>Conference<\/strong>: <em>&#8220;Non-Adiabatic Photoreactivity in \u03c0-Stacked Pyrimidine Dimers&#8221;<\/em><\/li>\n<li><u>D. Roca-Sanju\u00e1n<\/u>, A. Giussani, R. Lindh, and M. Merch\u00e1n<br \/>\n<strong>Poster<\/strong>: <em>&#8220;Photophysics of Xanthopterin, A Light-Harvesting Molecule&#8221;<\/em><\/li>\n<li><u>V. Sauri<\/u>, A. Giussani, J. Segarra-Mart\u00ed, D. Roca-Sanju\u00e1n, and M. Merch\u00e1n<br \/>\n<strong>Poster<\/strong>: <em>&#8220;Multiconfigurational Second-Order Perturbation Theory: RASPT2 Benchmark Calculations and CASPT2 Applications in Spectroscopy and Photochemistry&#8221;<\/em><\/li>\n<\/ul>\n<\/li>\n<li>\n<h3><strong>Course:\u00a0<\/strong><span style=\"color: #0000ff;\"><em><a href=\"http:\/\/www.gaussian.com\/g_ws\/1.htm\" target=\"_blank\" rel=\"noopener\">&#8220;Gaussian Workshop 2011&#8221;<\/a><\/em><\/span><\/h3>\n<\/li>\n<li><span style=\"color: #000000;\">Universidad de Santiago, Santiago de Compostela, SPAIN, 17th-22nd July 2011<em><br \/>\n<strong>Contributions<\/strong>:<\/em><\/span><\/p>\n<ul>\n<li><u>V. P\u00e9rez-Mond\u00e9jar<\/u><\/li>\n<li><u>J. Segarra-Mart\u00ed<\/u><\/li>\n<\/ul>\n<\/li>\n<li>\n<h3><strong>Congress<\/strong>: <em><a href=\"http:\/\/www.watoc2011.com\/\">&#8220;WATOC 2011 Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists &#8220;<\/a><\/em><\/h3>\n<p>Universidad de Santiago, Santiago de Compostela, SPAIN, 17th-22nd July 2011<br \/>\n<strong>Contributions<\/strong>:<\/p>\n<ul>\n<li><u>I. Gonz\u00e1lez-Ram\u00edrez<\/u>, D. Roca-Sanju\u00e1n, M. Rubio, L. Serrano-Andr\u00e9s, and M. Merch\u00e1n<br \/>\n<strong>Conference<\/strong>: <em>&#8220;CASPT2 Investigation on the N1-H and N3-H Bond Dissociation by Low Electrons in Uracil&#8221;<\/em><\/li>\n<li><u>J. Segarra-Mart\u00ed<\/u>, D. Roca-Sanju\u00e1n, and M. Merch\u00e1n<br \/>\n<strong>Poster<\/strong>: <em>&#8220;Determination of the Ionization Potential of Water Clusters (H2O)n [n=2-6] by Using Different Ab Initio Approaches&#8221;<\/em><\/li>\n<li><u>V. Sauri<\/u>, L. Serrano-Andr\u00e9s, J. J. Serrano-P\u00e9rez, D. Roca-Sanju\u00e1n, and M. Merch\u00e1n<br \/>\n<strong>Poster<\/strong>: <em>&#8220;Excited-State Hydrogen\/Proton Transfer Processes in the Guanine-Cytosine Base Pair&#8221;<\/em><\/li>\n<li><u>A. Giussani<\/u>, M. Merch\u00e1n, and D. Roca-Sanju\u00e1n<br \/>\n<strong>Poster<\/strong>: <em>&#8220;On the Photophysics of the Indole Chromophore by Using a Totally Unconstrained Theoretical Approach&#8221;<\/em><\/li>\n<li>R. Gonz\u00e1lez-Luque, G. Olaso-Gonz\u00e1lez, <u>V. P\u00e9rez-Mond\u00e9jar<\/u>, M. Merch\u00e1n, P. B. Coto, L. Serrano-Andr\u00e9s, and M. Garavelli<br \/>\n<strong>Poster<\/strong>: <em>&#8220;On the Role of the Triplet State in the cis\/trans Isomerization of Rhodopsin&#8221;<\/em><\/li>\n<\/ul>\n<\/li>\n<li>\n<h3><strong>Congress<\/strong>: <a href=\"http:\/\/www.cpic.byethost3.com\/\" target=\"_blank\" rel=\"noopener\"><span style=\"color: #0000ff;\"><em>&#8220;2<sup>nd<\/sup> European Symposium on computing \u03c0-conjugated compounds&#8221;<\/em><\/span><\/a><\/h3>\n<p>3-5 February 2011, Limoges, France.<br \/>\n<strong>Participants<\/strong>:<\/p>\n<ul>\n<li>Daniel Roca-Sanju\u00e1n, Conference<br \/>\n<strong>Title<\/strong>:&#8221;Photoproduction of cyclobutane pyrimidine dimers in DNA\/RNA: A comparative analysis&#8221; <em>Together with University of Uppsala<\/em><\/li>\n<li>Angelo Giussani, Conference<br \/>\n<strong>Title<\/strong>:&#8221;On the photophysics of the indole chromophore by using a totally unconstrained theoretical approach&#8221;<\/li>\n<li>Vicenta Saur\u00ed, Conference<br \/>\n<strong>Title<\/strong>:&#8221;Performance of the RASPT2 method to compute potential energy curves&#8221;<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>List of QCEXVAL contributions in 2011 Course: &#8220;6th IIC-EMTCCM, International Intensive Course &#8211; European Master in Theoretical Chemistry and Computational Modelling&#8221; Universitat de Val\u00e8ncia (ICMol), Val\u00e8ncia, SPAIN, 12th September &#8211; 8th October, 2011 Contributions: Professor D. Roca-Sanju\u00e1n Course: &#8220;Computational Photochemistry in Biological Systems&#8221; Congress: &#8220;21er Encuentro Ib\u00e9rico para la Ense\u00f1anza de la F\u00edsica. XXXIII Reuni\u00f3n Bienal de la Real Sociedad Espa\u00f1ola de F\u00edsica&#8221; Santander (Espa\u00f1a), 19 de Septiembre &#8211; 1 de Octubre de 2011 Contributions: D. R. Alcoba, A. Chana, J. Z. D\u00e1valos, F. J. Gonz\u00e1lez, A. Guerrero, D. J. Klein, M. Merch\u00e1n, J. M. Oliva, V. Sauri. Poster: &#8220;Molecular Architectures in Polyhedral Heteroboranes: Interplay between Physics and Chemistry&#8221; Congress:<\/p>\n<div class=\"wst-more-wrap\"><a class=\"more-link\" href=\"http:\/\/qcexval.uv.es\/?page_id=149\"><span>Read More<\/span><\/a><\/div>\n<p> <a class=\"more-link\" href=\"http:\/\/qcexval.uv.es\/?page_id=149\">Read more<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":131,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v21.8 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>2011 - QCEXVAL<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"http:\/\/qcexval.uv.es\/?page_id=149\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"2011 - QCEXVAL\" \/>\n<meta property=\"og:description\" content=\"List of QCEXVAL contributions in 2011 Course: &#8220;6th IIC-EMTCCM, International Intensive Course &#8211; European Master in Theoretical Chemistry and Computational Modelling&#8221; Universitat de Val\u00e8ncia (ICMol), Val\u00e8ncia, SPAIN, 12th September &#8211; 8th October, 2011 Contributions: Professor D. Roca-Sanju\u00e1n Course: &#8220;Computational Photochemistry in Biological Systems&#8221; Congress: &#8220;21er Encuentro Ib\u00e9rico para la Ense\u00f1anza de la F\u00edsica. XXXIII Reuni\u00f3n Bienal de la Real Sociedad Espa\u00f1ola de F\u00edsica&#8221; Santander (Espa\u00f1a), 19 de Septiembre &#8211; 1 de Octubre de 2011 Contributions: D. R. Alcoba, A. Chana, J. Z. D\u00e1valos, F. J. Gonz\u00e1lez, A. Guerrero, D. J. Klein, M. Merch\u00e1n, J. M. Oliva, V. Sauri. 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Roca-Sanju\u00e1n Course: &#8220;Computational Photochemistry in Biological Systems&#8221; Congress: &#8220;21er Encuentro Ib\u00e9rico para la Ense\u00f1anza de la F\u00edsica. XXXIII Reuni\u00f3n Bienal de la Real Sociedad Espa\u00f1ola de F\u00edsica&#8221; Santander (Espa\u00f1a), 19 de Septiembre &#8211; 1 de Octubre de 2011 Contributions: D. R. Alcoba, A. Chana, J. Z. D\u00e1valos, F. J. Gonz\u00e1lez, A. Guerrero, D. J. Klein, M. Merch\u00e1n, J. M. Oliva, V. Sauri. Poster: &#8220;Molecular Architectures in Polyhedral Heteroboranes: Interplay between Physics and Chemistry&#8221; Congress:Read More","og_url":"http:\/\/qcexval.uv.es\/?page_id=149","og_site_name":"QCEXVAL","article_modified_time":"2021-04-19T17:24:42+00:00","twitter_card":"summary_large_image","twitter_site":"@qcexval","twitter_misc":{"Est. reading time":"3 minutes"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"http:\/\/qcexval.uv.es\/?page_id=149","url":"http:\/\/qcexval.uv.es\/?page_id=149","name":"2011 - QCEXVAL","isPartOf":{"@id":"http:\/\/qcexval.uv.es\/#website"},"datePublished":"2016-09-26T16:29:58+00:00","dateModified":"2021-04-19T17:24:42+00:00","breadcrumb":{"@id":"http:\/\/qcexval.uv.es\/?page_id=149#breadcrumb"},"inLanguage":"en-US","potentialAction":[{"@type":"ReadAction","target":["http:\/\/qcexval.uv.es\/?page_id=149"]}]},{"@type":"BreadcrumbList","@id":"http:\/\/qcexval.uv.es\/?page_id=149#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Home","item":"http:\/\/qcexval.uv.es\/"},{"@type":"ListItem","position":2,"name":"Conferences and courses","item":"http:\/\/qcexval.uv.es\/?page_id=131"},{"@type":"ListItem","position":3,"name":"2011"}]},{"@type":"WebSite","@id":"http:\/\/qcexval.uv.es\/#website","url":"http:\/\/qcexval.uv.es\/","name":"QCEXVAL","description":"The Excited State Quantum Chemistry Group","publisher":{"@id":"http:\/\/qcexval.uv.es\/#organization"},"potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"http:\/\/qcexval.uv.es\/?s={search_term_string}"},"query-input":"required name=search_term_string"}],"inLanguage":"en-US"},{"@type":"Organization","@id":"http:\/\/qcexval.uv.es\/#organization","name":"QCEXVAL","url":"http:\/\/qcexval.uv.es\/","logo":{"@type":"ImageObject","inLanguage":"en-US","@id":"http:\/\/qcexval.uv.es\/#\/schema\/logo\/image\/","url":"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2021\/03\/cropped-Logo4.3-1.jpg","contentUrl":"http:\/\/qcexval.uv.es\/wp-content\/uploads\/2021\/03\/cropped-Logo4.3-1.jpg","width":512,"height":512,"caption":"QCEXVAL"},"image":{"@id":"http:\/\/qcexval.uv.es\/#\/schema\/logo\/image\/"},"sameAs":["https:\/\/twitter.com\/qcexval"]}]}},"_links":{"self":[{"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/149"}],"collection":[{"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=149"}],"version-history":[{"count":3,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/149\/revisions"}],"predecessor-version":[{"id":1305,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/149\/revisions\/1305"}],"up":[{"embeddable":true,"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=\/wp\/v2\/pages\/131"}],"wp:attachment":[{"href":"http:\/\/qcexval.uv.es\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=149"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}