{"id":399,"date":"2021-09-17T15:25:15","date_gmt":"2021-09-17T13:25:15","guid":{"rendered":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/?p=399"},"modified":"2021-09-17T15:25:15","modified_gmt":"2021-09-17T13:25:15","slug":"attractive-gaussian-potentials-for-force-fields-describing-the-oxide-organic-molecules-interaction","status":"publish","type":"post","link":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/2021\/09\/attractive-gaussian-potentials-for-force-fields-describing-the-oxide-organic-molecules-interaction\/","title":{"rendered":"Attractive Gaussian Potentials for Force Fields Describing the Oxide\/Organic Molecules Interaction"},"content":{"rendered":"<p>After some battling, we are very happy to present our work on interfacial force fields, <a href=\"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.1c05156\">now published in J. Phys. Chem. B<\/a>: for near-chemisorption, as observed for Lewis-acid\/Lewis-base interactions on metal oxides, the &#8220;standard&#8221; Lennard-Jones interactions should be supplemented with an attractive, anisotropic Gaussian attractive term in order to retrieve qualitatively correct results.\u00a0<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-medium wp-image-400\" src=\"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2021\/09\/TOCv2-300x162.png\" alt=\"\" width=\"300\" height=\"162\" srcset=\"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2021\/09\/TOCv2-300x162.png 300w, https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2021\/09\/TOCv2-768x414.png 768w, https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2021\/09\/TOCv2.png 975w\" sizes=\"auto, (max-width: 300px) 100vw, 300px\" \/><\/p>","protected":false},"excerpt":{"rendered":"<p>After some battling, we are very happy to present our work on interfacial force fields, now published in J. Phys. Chem. B: for near-chemisorption, as observed for Lewis-acid\/Lewis-base interactions on metal oxides, the &#8220;standard&#8221; Lennard-Jones interactions should be supplemented with an attractive, anisotropic Gaussian attractive term in order to retrieve qualitatively correct results.\u00a0<\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_lmt_disableupdate":"","_lmt_disable":"","footnotes":""},"categories":[4],"tags":[],"class_list":["post-399","post","type-post","status-publish","format-standard","hentry","category-publications"],"modified_by":null,"_links":{"self":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/399","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/comments?post=399"}],"version-history":[{"count":1,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/399\/revisions"}],"predecessor-version":[{"id":401,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/399\/revisions\/401"}],"wp:attachment":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/media?parent=399"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/categories?post=399"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/tags?post=399"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}