{"id":1018,"date":"2025-02-21T16:31:05","date_gmt":"2025-02-21T16:31:05","guid":{"rendered":"https:\/\/exa.unne.edu.ar\/postgrado1-web\/?page_id=1018"},"modified":"2026-09-09T15:28:26","modified_gmt":"2026-09-09T15:28:26","slug":"procesos-fundamentales-en-sistemas-moleculares-profmol","status":"publish","type":"page","link":"https:\/\/exa.unne.edu.ar\/postgrado1-web\/?page_id=1018","title":{"rendered":"Procesos fundamentales en Sistemas moleculares (PROFMOL)"},"content":{"rendered":"\n<p class=\"wp-block-paragraph\"><strong>\u00c1rea de trabajo:<\/strong><\/p>\n\n\n\n<p class=\"wp-block-paragraph\">F\u00edsica y Qu\u00edmica.&nbsp;<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>Descripci\u00f3n:<\/strong><\/p>\n\n\n\n<p class=\"wp-block-paragraph\">En el grupo se estudian los fundamentos de la teor\u00eda del enlace (interacciones interat\u00f3micas), la reactividad qu\u00edmica y aplicaciones de inter\u00e9s en Qu\u00edmica-F\u00edsica. Los estudios recorren cuestiones f\u00edsicas, qu\u00edmicas y matem\u00e1ticas y se enfocan en el desarrollo del formalismo de matrices densidad reducidas y la consideraci\u00f3n de los efectos de correlaci\u00f3n electr\u00f3nica en sistemas de muchos cuerpos. Se desarrolla una nueva visi\u00f3n de la densidad electr\u00f3nica definiendo el estudio de la topolog\u00eda de su descomposici\u00f3n en dos contribuciones (apareamiento y cumulante). Perseguimos la f\u00edsica que surge de la consideraci\u00f3n de los efectos de correlaci\u00f3n electr\u00f3nica; con nuestro formalismo todos los fen\u00f3menos, incluidos los ya muy conocidos, admiten una nueva interpretaci\u00f3n. Las perspectivas de aplicaciones y desarrollos abarcan todo tipo de sistemas moleculares y cuestiones de aplicaci\u00f3n tecnol\u00f3gica o biol\u00f3gica. Las aplicaciones de inter\u00e9s en la actualidad son las relativas a la qu\u00edmica del Boro, reacciones en el medio interestelar, interacciones a m\u00e1s de dos centros y deficientes en electrones y base molecular del mecanismo de acci\u00f3n de compuestos antioxidantes (Dpto. de F\u00edsica de FACENA -UNNE)<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>Lineas de investigaci\u00f3n:<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>Topolog\u00eda de las densidades electr\u00f3nica, apareada y efectivamente desapareada.<\/li>\n\n\n\n<li>Reactividad qu\u00edmica.<\/li>\n\n\n\n<li>Formalismo de Matrices densidad y an\u00e1lisis poblacional.<\/li>\n\n\n\n<li>Efectos de correlaci\u00f3n y de deslocalizaci\u00f3n electr\u00f3nica en sistemas moleculares<\/li>\n<\/ul>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>Integrantes:<\/strong><\/p>\n\n\n\n<p class=\"wp-block-paragraph\">Coordinador\/a:&nbsp;Lobayan, Rosana Maria \u2013 rlobayan@gmail.com<\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>Dr. Bochicchio, Roberto (Universidad de Buenos Aires).<\/li>\n\n\n\n<li>Carlos Perez del Valle (Universidad de Grenoble, Alpes).<\/li>\n\n\n\n<li>Dra. Bentz, Erika Natalia (Universidad Nacional del Nordeste).<\/li>\n\n\n\n<li>Dra. Perez Schmit, Mar\u00eda Celia (Universidad Nacional del Nordeste)<\/li>\n<\/ul>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>Becarios\/as y pasantes:<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>Szewcuk,\u00a0Nicol\u00e1s Alejandro. Becario Doctoral CONICET (2020-2025). Tema: \u201cEstudio y aplicaci\u00f3n de la teor\u00eda QSAR\/QSPR en compuestos flavonoides\u201d .<\/li>\n<\/ul>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>Proyectos acreditados:<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>SGCyT-UNNE, 17F012, per\u00edodo 2018-2021, \u201cBase molecular de mecanismos de acci\u00f3n de compuestos de inter\u00e9s biol\u00f3gico y tecnol\u00f3gico y Topolog\u00eda de la descomposici\u00f3n de la densidad electr\u00f3nica. Efectos de correlaci\u00f3n y de deslocalizaci\u00f3n electr\u00f3nica\u201d.<\/li>\n\n\n\n<li>SGCyT-UNNE, F008-2013, per\u00edodo 2014-2017, \u201cTopolog\u00eda de la descomposici\u00f3n de la densidad electr\u00f3nica y efectos de deslocalizaci\u00f3n electr\u00f3nica, interacciones intramoleculares y reactividad\u201d.<\/li>\n<\/ul>\n\n\n\n<h4 class=\"wp-block-heading\">Producci\u00f3n Cient\u00edfica y Tecnol\u00f3gica<\/h4>\n","protected":false},"excerpt":{"rendered":"<p>\u00c1rea de trabajo: F\u00edsica y Qu\u00edmica.&nbsp; Descripci\u00f3n: En el grupo se estudian los fundamentos de la teor\u00eda del enlace (interacciones [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_monsterinsights_skip_tracking":false,"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"default","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","ast-disable-related-posts":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"_joinchat":[],"footnotes":""},"class_list":["post-1018","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/exa.unne.edu.ar\/postgrado1-web\/index.php?rest_route=\/wp\/v2\/pages\/1018","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/exa.unne.edu.ar\/postgrado1-web\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/exa.unne.edu.ar\/postgrado1-web\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/exa.unne.edu.ar\/postgrado1-web\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/exa.unne.edu.ar\/postgrado1-web\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=1018"}],"version-history":[{"count":3,"href":"https:\/\/exa.unne.edu.ar\/postgrado1-web\/index.php?rest_route=\/wp\/v2\/pages\/1018\/revisions"}],"predecessor-version":[{"id":2370,"href":"https:\/\/exa.unne.edu.ar\/postgrado1-web\/index.php?rest_route=\/wp\/v2\/pages\/1018\/revisions\/2370"}],"wp:attachment":[{"href":"https:\/\/exa.unne.edu.ar\/postgrado1-web\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=1018"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}