{"id":288825,"date":"2017-03-17T05:29:05","date_gmt":"2017-03-17T09:29:05","guid":{"rendered":"https:\/\/ntrs.nasa.gov\/search.jsp?R=20160012461"},"modified":"2017-03-17T05:29:05","modified_gmt":"2017-03-17T09:29:05","slug":"collisional-dissociation-of-co-ab-initio-potential-energy-surfaces-and-quasiclassical-trajectory-rate-coefficients","status":"publish","type":"post","link":"https:\/\/spaceweekly.com\/?p=288825","title":{"rendered":"Collisional Dissociation of CO: ab initio Potential Energy Surfaces and Quasiclassical Trajectory Rate Coefficients"},"content":{"rendered":"<p>Abstract: We have generated accurate global potential energy surfaces for CO+Ar and CO+O that correlate with atom-diatom pairs in their ground electronic states based on extensive ab initio electronic structure calculations and used these potentials in quasi-classical trajectory nuclear dynamics calculations to predict the thermal dissociation rate coefficients over 5000- 35000 K. Our results are not compatible with the 20-45 year old experimental results. For CO + Ar we obtain fairly good agreement wi&#8230;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Abstract: We have generated accurate global potential energy surfaces for CO+Ar and CO+O that correlate with atom-diatom pairs in their ground electronic states based on extensive ab initio electronic structure calculations and used these potentials in&#8230;<\/p>\n","protected":false},"author":60,"featured_media":615444,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[],"tags":[],"class_list":["post-288825","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry"],"_links":{"self":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts\/288825","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/users\/60"}],"replies":[{"embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=288825"}],"version-history":[{"count":1,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts\/288825\/revisions"}],"predecessor-version":[{"id":288826,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts\/288825\/revisions\/288826"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/media\/615444"}],"wp:attachment":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=288825"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=288825"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=288825"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}