{"id":13453,"date":"2020-08-17T08:46:34","date_gmt":"2020-08-17T08:46:34","guid":{"rendered":"http:\/\/45.119.114.148\/iisernew\/?p=13453"},"modified":"2023-01-27T18:07:36","modified_gmt":"2023-01-27T18:07:36","slug":"pk-yay-a-black-box-method-using-density-functional-theory-and-implicit-solvation-models-to-compute-aqueous-pka-values-of-weak-and-strong-acids","status":"publish","type":"post","link":"https:\/\/iiser.ntc-us.com\/iisernew\/pk-yay-a-black-box-method-using-density-functional-theory-and-implicit-solvation-models-to-compute-aqueous-pka-values-of-weak-and-strong-acids\/","title":{"rendered":"pK-Yay: A black-box method using density functional theory and implicit solvation models to compute aqueous pKa\u00a0values of weak and strong acids"},"content":{"rendered":"<p>AUTHOR&#8217;S &#8211; Pereira, R. W., &#038; Ramabhadran, R. O. (2020). <\/p>\n<p>Journal of Physical Chemistry A, 124(43), 9061-9074. DOI: <a href=\"https:\/\/doi.org\/10.1021\/acs.jpca.0c06298\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jpca.0c06298<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>AUTHOR&#8217;S &#8211; Pereira, R. W., &#038; Ramabhadran, R. O. (2020). Journal of Physical Chemistry A, 124(43), 9061-9074. DOI: 10.1021\/acs.jpca.0c06298<\/p>\n","protected":false},"author":8,"featured_media":19488,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_expiration-date-status":"","_expiration-date":0,"_expiration-date-type":"","_expiration-date-categories":[],"_expiration-date-options":[]},"categories":[22,27],"tags":[],"acf":[],"_links":{"self":[{"href":"https:\/\/iiser.ntc-us.com\/iisernew\/wp-json\/wp\/v2\/posts\/13453"}],"collection":[{"href":"https:\/\/iiser.ntc-us.com\/iisernew\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/iiser.ntc-us.com\/iisernew\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/iiser.ntc-us.com\/iisernew\/wp-json\/wp\/v2\/users\/8"}],"replies":[{"embeddable":true,"href":"https:\/\/iiser.ntc-us.com\/iisernew\/wp-json\/wp\/v2\/comments?post=13453"}],"version-history":[{"count":4,"href":"https:\/\/iiser.ntc-us.com\/iisernew\/wp-json\/wp\/v2\/posts\/13453\/revisions"}],"predecessor-version":[{"id":22336,"href":"https:\/\/iiser.ntc-us.com\/iisernew\/wp-json\/wp\/v2\/posts\/13453\/revisions\/22336"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/iiser.ntc-us.com\/iisernew\/wp-json\/wp\/v2\/media\/19488"}],"wp:attachment":[{"href":"https:\/\/iiser.ntc-us.com\/iisernew\/wp-json\/wp\/v2\/media?parent=13453"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/iiser.ntc-us.com\/iisernew\/wp-json\/wp\/v2\/categories?post=13453"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/iiser.ntc-us.com\/iisernew\/wp-json\/wp\/v2\/tags?post=13453"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}