{"id":1919,"date":"2017-02-09T15:58:09","date_gmt":"2017-02-09T23:58:09","guid":{"rendered":"http:\/\/blogs.reed.edu\/shusterman_lab\/?p=1919"},"modified":"2017-02-09T15:58:09","modified_gmt":"2017-02-09T23:58:09","slug":"predicting-nmr-shifts-for-organoiodine-compounds-in-spartan","status":"publish","type":"post","link":"https:\/\/blogs.reed.edu\/shusterman_lab\/2017\/02\/predicting-nmr-shifts-for-organoiodine-compounds-in-spartan\/","title":{"rendered":"Predicting NMR shifts for organoiodine compounds in Spartan"},"content":{"rendered":"<p>Shift prediction for RI (and ArI and I-anything) molecules&nbsp;is impossible using&nbsp;the 6-31G*basis set because these basis functions have not been defined&nbsp;for iodine. Use 6-311G*.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Shift prediction for RI (and ArI and I-anything) molecules&nbsp;is impossible using&nbsp;the 6-31G*basis set because these basis functions have not been defined&nbsp;for iodine. Use 6-311G*.<\/p>\n","protected":false},"author":55,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[3],"tags":[8,35,27],"class_list":["post-1919","post","type-post","status-publish","format-standard","hentry","category-spartan-howto","tag-basis-sets","tag-nmr","tag-spartan"],"_links":{"self":[{"href":"https:\/\/blogs.reed.edu\/shusterman_lab\/wp-json\/wp\/v2\/posts\/1919","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/blogs.reed.edu\/shusterman_lab\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/blogs.reed.edu\/shusterman_lab\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/blogs.reed.edu\/shusterman_lab\/wp-json\/wp\/v2\/users\/55"}],"replies":[{"embeddable":true,"href":"https:\/\/blogs.reed.edu\/shusterman_lab\/wp-json\/wp\/v2\/comments?post=1919"}],"version-history":[{"count":2,"href":"https:\/\/blogs.reed.edu\/shusterman_lab\/wp-json\/wp\/v2\/posts\/1919\/revisions"}],"predecessor-version":[{"id":1922,"href":"https:\/\/blogs.reed.edu\/shusterman_lab\/wp-json\/wp\/v2\/posts\/1919\/revisions\/1922"}],"wp:attachment":[{"href":"https:\/\/blogs.reed.edu\/shusterman_lab\/wp-json\/wp\/v2\/media?parent=1919"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/blogs.reed.edu\/shusterman_lab\/wp-json\/wp\/v2\/categories?post=1919"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/blogs.reed.edu\/shusterman_lab\/wp-json\/wp\/v2\/tags?post=1919"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}