{"id":28116,"date":"2024-05-23T18:47:28","date_gmt":"2024-05-23T18:47:28","guid":{"rendered":"https:\/\/www2.unifap.br\/pet-fisica\/?p=28116"},"modified":"2024-05-23T19:17:01","modified_gmt":"2024-05-23T19:17:01","slug":"deslocamentos-quimicos-em-compostos-organicos-atraves-da-ressonancia-magnetica-nuclear","status":"publish","type":"post","link":"http:\/\/www2.unifap.br\/pet-fisica\/deslocamentos-quimicos-em-compostos-organicos-atraves-da-ressonancia-magnetica-nuclear\/","title":{"rendered":"Deslocamentos qu\u00edmicos em compostos org\u00e2nicos atrav\u00e9s da resson\u00e2ncia magn\u00e9tica nuclear"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-post\" data-elementor-id=\"28116\" class=\"elementor elementor-28116\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-588401c elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"588401c\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-51a0395\" data-id=\"51a0395\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-f4077b2 elementor-widget elementor-widget-text-editor\" data-id=\"f4077b2\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<p><span style=\"font-style: inherit;font-weight: inherit;color: var( --e-global-color-text );font-family: var( --e-global-typography-text-font-family ), Sans-serif;background-color: var(--ast-global-color-5)\">Novo estudo revela avan\u00e7os na previs\u00e3o de deslocamentos qu\u00edmicos em compostos org\u00e2nicos atrav\u00e9s da resson\u00e2ncia magn\u00e9tica nuclear!\u00a0<\/span><\/p><p>\u00a0Descubra mais sobre a pesquisa &#8220;Fatores de Escalonamento de \u0394 de RMN de 13C: Compara\u00e7\u00e3o de Diferentes Funcionais H\u00edbridos e Conjuntos de Fun\u00e7\u00f5es de Base&#8221; na Revista Processos Qu\u00edmicos (QUALIS CAPES B4 &#8211; 2017\/2020). Os autores <a href=\"http:\/\/lattes.cnpq.br\/5001016980298959\">F\u00e1bio L. P. Costa<\/a> (UFJ), <a href=\"http:\/\/lattes.cnpq.br\/5373443175108818\">Gunar V. S. Mota<\/a> (UFPA), <a href=\"http:\/\/lattes.cnpq.br\/0978983984463066\">Marcelo R. S. Siqueira<\/a> (UNIFAP) e <a href=\"http:\/\/lattes.cnpq.br\/3507474637884699\">Ant\u00f4nio M. J. C. Neto<\/a> (UFPA) exploraram a efic\u00e1cia da abordagem GIAO com a Teoria do Funcional da Densidade H\u00edbrida, revelando insights valiosos para predizer propriedades moleculares.\u00a0<\/p><p>A an\u00e1lise estat\u00edstica destacou o n\u00edvel GIAOHSEH1PBE\/6-31G* como mais eficaz na previs\u00e3o de deslocamentos de 13C. Este estudo \u00e9 um passo importante para aprimorar simula\u00e7\u00f5es em qu\u00edmica qu\u00e2ntica computacional e gerar c\u00e1lculos mais precisos para uma ampla gama de compostos.\u00a0<\/p><p>Leia mais:\u00a0<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-b99904c elementor-button-info elementor-align-center elementor-widget elementor-widget-button\" data-id=\"b99904c\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"button.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<div class=\"elementor-button-wrapper\">\n\t\t\t\t\t<a class=\"elementor-button elementor-button-link elementor-size-sm\" href=\"https:\/\/ojs.rpqsenai.org.br\/index.php\/rpq_n1\/article\/view\/718\/641\" target=\"_blank\">\n\t\t\t\t\t\t<span class=\"elementor-button-content-wrapper\">\n\t\t\t\t\t\t\t\t\t<span class=\"elementor-button-text\">Clique aqui<\/span>\n\t\t\t\t\t<\/span>\n\t\t\t\t\t<\/a>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"<p>Novo estudo revela avan\u00e7os na previs\u00e3o de deslocamentos qu\u00edmicos em compostos org\u00e2nicos atrav\u00e9s da resson\u00e2ncia magn\u00e9tica nuclear!\u00a0 \u00a0Descubra mais sobre a pesquisa &#8220;Fatores de Escalonamento de \u0394 de RMN de 13C: Compara\u00e7\u00e3o de Diferentes Funcionais H\u00edbridos e Conjuntos de Fun\u00e7\u00f5es de Base&#8221; na Revista Processos Qu\u00edmicos (QUALIS CAPES B4 &#8211; 2017\/2020). Os autores F\u00e1bio L&#8230;.<\/p>\n","protected":false},"author":3977,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"inline_featured_image":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":"","theme-transparent-header-meta":"default","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"set","ast-page-background-enabled":"default","ast-page-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":"","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-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":"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":""},"mobile":{"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":""}},"ngg_post_thumbnail":0,"footnotes":""},"categories":[1],"tags":[18,19,20],"class_list":["post-28116","post","type-post","status-publish","format-standard","hentry","category-divulgacoes","tag-pesquisacientifica","tag-quimicacomputacional","tag-rmn13c"],"_links":{"self":[{"href":"http:\/\/www2.unifap.br\/pet-fisica\/wp-json\/wp\/v2\/posts\/28116","targetHints":{"allow":["GET"]}}],"collection":[{"href":"http:\/\/www2.unifap.br\/pet-fisica\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www2.unifap.br\/pet-fisica\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www2.unifap.br\/pet-fisica\/wp-json\/wp\/v2\/users\/3977"}],"replies":[{"embeddable":true,"href":"http:\/\/www2.unifap.br\/pet-fisica\/wp-json\/wp\/v2\/comments?post=28116"}],"version-history":[{"count":12,"href":"http:\/\/www2.unifap.br\/pet-fisica\/wp-json\/wp\/v2\/posts\/28116\/revisions"}],"predecessor-version":[{"id":28128,"href":"http:\/\/www2.unifap.br\/pet-fisica\/wp-json\/wp\/v2\/posts\/28116\/revisions\/28128"}],"wp:attachment":[{"href":"http:\/\/www2.unifap.br\/pet-fisica\/wp-json\/wp\/v2\/media?parent=28116"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www2.unifap.br\/pet-fisica\/wp-json\/wp\/v2\/categories?post=28116"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www2.unifap.br\/pet-fisica\/wp-json\/wp\/v2\/tags?post=28116"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}