{"id":321,"date":"2013-12-15T19:14:53","date_gmt":"2013-12-15T18:14:53","guid":{"rendered":"http:\/\/darrigan.net\/blog\/?page_id=321"},"modified":"2023-07-10T11:04:27","modified_gmt":"2023-07-10T09:04:27","slug":"recherche-scientifique","status":"publish","type":"page","link":"https:\/\/darrigan.net\/blog\/activites-universitaires\/recherche-scientifique\/","title":{"rendered":"Recherche scientifique"},"content":{"rendered":"<p><a href=\"https:\/\/iprem.univ-pau.fr\/\" target=\"_blank\" rel=\"noopener\"><img decoding=\"async\" loading=\"lazy\" class=\"wp-image-865 alignright\" src=\"https:\/\/darrigan.net\/blog\/wp-content\/uploads\/2021\/03\/logotype_iprem-800.png\" alt=\"\" width=\"199\" height=\"114\" srcset=\"https:\/\/darrigan.net\/blog\/wp-content\/uploads\/2021\/03\/logotype_iprem-800.png 1000w, https:\/\/darrigan.net\/blog\/wp-content\/uploads\/2021\/03\/logotype_iprem-800-300x172.png 300w, https:\/\/darrigan.net\/blog\/wp-content\/uploads\/2021\/03\/logotype_iprem-800-768x440.png 768w, https:\/\/darrigan.net\/blog\/wp-content\/uploads\/2021\/03\/logotype_iprem-800-624x358.png 624w\" sizes=\"(max-width: 199px) 100vw, 199px\" \/>Institut des sciences analytiques et de physico-chimie pour l&rsquo;environnement et les mat\u00e9riaux<\/a> (IPREM), UMR 5254 UPPA\/CNRS<\/p>\n<h2>Th\u00e8me de recherche : chimie th\u00e9orique et r\u00e9activit\u00e9 mol\u00e9culaire, m\u00e9thodologie et programmation.<\/h2>\n<ul>\n<li><a href=\"https:\/\/orcid.org\/0000-0001-5197-8293\"><img decoding=\"async\" loading=\"lazy\" class=\" wp-image-853 alignright\" src=\"https:\/\/darrigan.net\/blog\/wp-content\/uploads\/2021\/03\/oid.gif\" alt=\"\" width=\"200\" height=\"46\" \/><\/a>Depuis 2013 :\n<ul>\n<li>Calculs\u00a0<em>ab initio<\/em>\u00a0mol\u00e9culaires : logiciel Gaussian<\/li>\n<li>Propri\u00e9t\u00e9s \u00e9lectroniques, spectroscopiques (UV-PES, UV-visible, IR), r\u00e9activit\u00e9<\/li>\n<li>M\u00e9thodologie pour l&rsquo;interpr\u00e9tation en spectroscopie photo\u00e9lectronique \u00e0 rayonnement UV (UV-PES)<\/li>\n<li>Application \u00e0 des syst\u00e8mes organiques avec h\u00e9t\u00e9ro\u00e9l\u00e9ments<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<ul>\n<li>1998-2013 :\n<ul>\n<li>Calculs\u00a0<em>ab initio<\/em>\u00a0trip\u00e9riodiques de fonction d&rsquo;onde \u00e9lectronique : logiciel\u00a0CRYSTAL<\/li>\n<li>Propri\u00e9t\u00e9s \u00e9lectriques et optiques, lin\u00e9aires et non-lin\u00e9aires : susceptibilit\u00e9s \u00e9lectriques d&rsquo;ordres 1, 2 et 3 (polarisabilit\u00e9, hyperpolarisabilit\u00e9s), code de calcul Xkhi \/ PauPol<\/li>\n<li>Th\u00e9orie diagrammatique de la perturbation, m\u00e9thode\u00a0<em>Sum Over States<\/em>\u00a0(SOS) non-coupl\u00e9e<\/li>\n<li>Perturbation par un champ \u00e9lectrique d&rsquo;amplitude finie, m\u00e9thode\u00a0<em>Finite Field<\/em>\u00a0(FF) coupl\u00e9e<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<h3>Publications, communications, contributions scientifiques et de vulgarisation des sciences<\/h3>\n<ul>\n<li>Voir : <a href=\"https:\/\/darrigan.net\/blog\/cv\/publications\/\">Publications, communications, contributions<\/a><\/li>\n<\/ul>\n<h3>Encadrements<\/h3>\n<h4>Doctorants<\/h4>\n<ul>\n<li>Danylo Hatych (2019-2020), co-direction de th\u00e8se avec Anna Chrostowska du 01\/11\/19 au 17\/09\/20)<br \/>\n<sup>Sujet : <em>Synthesis and characterization of BN azulenes.<\/em><\/sup><\/li>\n<li>Chen Zhang (2019-2020)<br \/>\n<sup>Sujet : <em>Synthesis of novel BN isosteres of aromatic hydrocarbons. <\/em><\/sup><\/li>\n<li>Aniket Anil Hande (2018-2020, co-direction de th\u00e8se avec Anna Chrostowska)<br \/>\n<sup>Sujet : <em>Paramagnetic nanographenes.<\/em><\/sup><\/li>\n<li>Javier Torres-Escalona (2014-2017)<br \/>\n<sup>Sujet : <em>\u00c9tude des propri\u00e9t\u00e9s \u00e9lectroniques des hydrazines et nitriles complex\u00e9s par des acides de Lewis. Vers le stockage chimique de l&rsquo;hydrog\u00e8ne.<\/em><\/sup><\/li>\n<li>Audrey Mazi\u00e8re (2014)<br \/>\n<sup>Sujet : <em>Structure \u00e9lectronique des h\u00e9t\u00e9rocycles BN-aromatiques.<\/em><\/sup><\/li>\n<li>Katarzyna Justyna (2014-2015)<br \/>\n<sup>Sujet : <em>Rearrangement of t-butylimines in flash vacuum thermolisis conditions.<\/em><\/sup><\/li>\n<li>Pawe\u0142 Tokarz (2014)<br \/>\n<sup>Sujet : <em>Diastereoselective synthesis of tetraalkyl(R,R)-1,2-cyclohexene-diaminodiphosphonates bearing thiophene, furan and pyrrole moieties.<\/em><\/sup><\/li>\n<\/ul>\n<h4>Masters<\/h4>\n<ul>\n<li><span lang=\"EN-US\">L\u00e9o Chaussy, Master 1 CPCM, Stage (2018)<\/span><br \/>\n<sup><span lang=\"EN-US\">Sujet : <em>Theoretical study of the electronic and spectroscopic properties of BN derivatives of azulene.<\/em><\/span><\/sup><\/li>\n<li><span lang=\"EN-US\">Jordan Garo et L\u00e9o Chaussy, Master 1 CPCM, TER (2017)<\/span><br \/>\n<sup><span lang=\"EN-US\">Sujet : <em>\u00c9tude th\u00e9orique des propri\u00e9t\u00e9s \u00e9lectroniques et spectroscopiques de d\u00e9riv\u00e9s borazot\u00e9s de l&rsquo;azul\u00e8ne.<\/em><\/span><\/sup><\/li>\n<li><span lang=\"EN-US\">Ania Krzyczmonik, Master Erasmus (2013)<\/span><br \/>\n<sup>Sujet : <em>Mod\u00e9lisation de la r\u00e9action d&rsquo;addition de dialkylphosphite sur des d\u00e9riv\u00e9s de 1,2-diaminocyclohexane (DACH).<br \/>\n<\/em><\/sup><\/li>\n<li>Nicolas Lespes, Master 2 CPCM, Stage (2012 ; co-encadr\u00e9 avec Patrice Bordat)<br \/>\n<sup><span lang=\"EN-US\">Sujet : <em>Des colorants antiques \u00e0 la m\u00e9canique quantique.<\/em><\/span><\/sup><\/li>\n<li>Nicolas Lespes, Master 1 CPCM, Etude bibliographique et TER (2010-2011)<br \/>\n<sup><span lang=\"EN-US\">Sujet : <em>\u00c9tude th\u00e9orique de l&rsquo;effet de solvant sur le spectre optique d&rsquo;un compos\u00e9 organique.<\/em><\/span><\/sup><\/li>\n<li>Florian Thauney, Master 1 Chimie, TER (2006-2007)<br \/>\n<sup><span lang=\"EN-US\">Sujet : <\/span><em>Mod\u00e9lisation de la thermolyse du benzo[2,1,3]oxadiazole.<\/em><\/sup><\/li>\n<li>Nicolas Marquestaut, Master 2 Environnement et Mat\u00e9riaux, Etude bibliographique et Stage (2005-2006)<br \/>\n<sup><span lang=\"EN-US\">Sujet : <\/span><em>Influence d&rsquo;une perturbation \u00e9lectrique statique sur les propri\u00e9t\u00e9s optiques non-lin\u00e9aires.<\/em><\/sup><\/li>\n<\/ul>\n<h4>Autres<\/h4>\n<ul>\n<li>Guy Atohoun, enseignant-chercheur \u00e0 l&rsquo;Universit\u00e9 d&rsquo;Abomey-Calavi, B\u00e9nin (2014)<br \/>\n<sup><span lang=\"EN-US\">Sujet : <\/span><em>Mod\u00e9lisation de l&rsquo;acide f\u00e9rulique et de la taxifoline.<\/em><\/sup><\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Institut des sciences analytiques et de physico-chimie pour l&rsquo;environnement et les mat\u00e9riaux (IPREM), UMR 5254 UPPA\/CNRS Th\u00e8me de recherche : chimie th\u00e9orique et r\u00e9activit\u00e9 mol\u00e9culaire, m\u00e9thodologie et programmation. Depuis 2013 : Calculs\u00a0ab initio\u00a0mol\u00e9culaires : logiciel Gaussian Propri\u00e9t\u00e9s \u00e9lectroniques, spectroscopiques (UV-PES, UV-visible, IR), r\u00e9activit\u00e9 M\u00e9thodologie pour l&rsquo;interpr\u00e9tation en spectroscopie photo\u00e9lectronique \u00e0 rayonnement UV (UV-PES) Application \u00e0 [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"parent":307,"menu_order":2,"comment_status":"closed","ping_status":"closed","template":"page-templates\/full-width.php","meta":[],"_links":{"self":[{"href":"https:\/\/darrigan.net\/blog\/wp-json\/wp\/v2\/pages\/321"}],"collection":[{"href":"https:\/\/darrigan.net\/blog\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/darrigan.net\/blog\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/darrigan.net\/blog\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/darrigan.net\/blog\/wp-json\/wp\/v2\/comments?post=321"}],"version-history":[{"count":11,"href":"https:\/\/darrigan.net\/blog\/wp-json\/wp\/v2\/pages\/321\/revisions"}],"predecessor-version":[{"id":997,"href":"https:\/\/darrigan.net\/blog\/wp-json\/wp\/v2\/pages\/321\/revisions\/997"}],"up":[{"embeddable":true,"href":"https:\/\/darrigan.net\/blog\/wp-json\/wp\/v2\/pages\/307"}],"wp:attachment":[{"href":"https:\/\/darrigan.net\/blog\/wp-json\/wp\/v2\/media?parent=321"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}