{"id":475,"date":"2023-10-31T14:24:01","date_gmt":"2023-10-31T13:24:01","guid":{"rendered":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/?p=475"},"modified":"2023-10-31T14:24:01","modified_gmt":"2023-10-31T13:24:01","slug":"force-field-for-carboxylates-on-co","status":"publish","type":"post","link":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/2023\/10\/force-field-for-carboxylates-on-co\/","title":{"rendered":"Force-field for carboxylates on Co"},"content":{"rendered":"<p>Along the line of the GAL force field family and the simplified GLJ force field for oxide-organics interactions, we have developed the necessary force field for carboxylates (well, neutral carboxyls) on two low-energy Co-surfaces. You can read all about it in<a href=\"https:\/\/doi.org\/10.1063\/5.0173351\"> J. Chem. Phys<\/a>. More to follow, when we will use this force field to study the diffusion of organic molecules through a surface film made up of carboxylated ligands.<\/p>","protected":false},"excerpt":{"rendered":"<p>Along the line of the GAL force field family and the simplified GLJ force field for oxide-organics interactions, we have developed the necessary force field for carboxylates (well, neutral carboxyls) on two low-energy Co-surfaces. You can read all about it in J. Chem. Phys. More to follow, when we will use this force field to [&hellip;]<\/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-475","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\/475","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=475"}],"version-history":[{"count":1,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/475\/revisions"}],"predecessor-version":[{"id":476,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/475\/revisions\/476"}],"wp:attachment":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/media?parent=475"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/categories?post=475"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/tags?post=475"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}