{"id":164,"date":"2012-09-14T15:12:12","date_gmt":"2012-09-14T21:12:12","guid":{"rendered":""},"modified":"2012-09-15T13:38:39","modified_gmt":"2012-09-15T04:38:39","slug":"\u9244\u2010\u30dd\u30eb\u30d5\u30a3\u30f3","status":"publish","type":"post","link":"https:\/\/www.cenav.org\/kdb\/?p=164","title":{"rendered":"\u9244\u2010\u30dd\u30eb\u30d5\u30a3\u30f3"},"content":{"rendered":"<h3 id=\"kdb_body\">\u6982\u8981<\/h3>\n<p>\u9244\u30dd\u30eb\u30d5\u30a3\u30f3\u306e\u5206\u5b50\u8ecc\u9053\u8a08\u7b97<\/p>\n<p><img alt=\"\" src=\"\/kdb\/out\/i164_1.png\" \/><\/p>\n<h3 id=\"kdb_field_sim_model\">\u89e3\u6790\u30e2\u30c7\u30eb<\/h3>\n<p><span style=\"color: black; text-transform: none; font-family: Arial; font-size: 28pt; font-style: normal; font-variant: normal; font-weight: normal; vertical-align: baseline; mso-ascii-font-family: Arial; mso-fareast-font-family: &quot;\uff2d\uff33 \uff30\u30b4\u30b7\u30c3\u30af&quot;; mso-bidi-font-family: +mn-cs; mso-bidi-theme-font: minor-bidi; mso-color-index: 1; mso-font-kerning: 12.0pt; language: en-US; text-combine: letters; mso-text-raise: 0%; mso-style-textoutline-type: none; mso-style-textfill-type: solid; mso-style-textfill-fill-themecolor: text1; mso-style-textfill-fill-color: black; mso-style-textfill-fill-alpha: 100.0%;\"><span style=\"font-size: 12px;\">37\u539f\u5b50<\/span><\/span><\/p>\n<p><span style=\"color: black; text-transform: none; font-family: Arial; font-size: 28pt; font-style: normal; font-variant: normal; font-weight: normal; vertical-align: baseline; mso-ascii-font-family: Arial; mso-fareast-font-family: &quot;\uff2d\uff33 \uff30\u30b4\u30b7\u30c3\u30af&quot;; mso-bidi-font-family: +mn-cs; mso-bidi-theme-font: minor-bidi; mso-color-index: 1; mso-font-kerning: 12.0pt; language: en-US; text-combine: letters; mso-text-raise: 0%; mso-style-textoutline-type: none; mso-style-textfill-type: solid; mso-style-textfill-fill-themecolor: text1; mso-style-textfill-fill-color: black; mso-style-textfill-fill-alpha: 100.0%;\"><span style=\"font-size: 12px;\">\u30e2\u30c7\u30ea\u30f3\u30b0<\/span><\/span><\/p>\n<p>&nbsp;<\/p>\n<h3 id=\"kdb_field_calc_condition\">\u8a08\u7b97\u6761\u4ef6<\/h3>\n<p>\u30fbB3LYP\/DZVP<br \/>\n\t\u30fbRKS<br \/>\n\t\u30fb\u30a8\u30cd\u30eb\u30ae\u30fc\u4e00\u70b9\u8a08\u7b97<br \/>\n\t\u30fb\u771f\u7a7a\u4e2d<\/p>\n<h3 id=\"kdb_field_exe_env\">\u5b9f\u884c\u74b0\u5883<\/h3>\n<p>CPU:<\/p>\n<p>GPU:<\/p>\n<p>Memory:<\/p>\n<p>HDD:<\/p>\n<h3 id=\"kdb_field_description_simu_case\">\u8a73\u7d30\u8aac\u660e<\/h3>\n<p>\u30d8\u30e0\u306e\u5178\u578b\u7684\u306a\u5206\u5b50\u8ecc\u9053\u78ba\u8a8d<\/p>\n<p><img alt=\"\" src=\"\/kdb\/out\/i164_2.png\" \/><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u6982\u8981 \u9244\u30dd\u30eb\u30d5\u30a3\u30f3\u306e\u5206\u5b50\u8ecc\u9053\u8a08\u7b97 \u89e3\u6790\u30e2\u30c7\u30eb 37\u539f\u5b50 \u30e2\u30c7\u30ea\u30f3\u30b0 &nbsp; \u8a08\u7b97\u6761\u4ef6 \u30fbB3LYP\/DZVP \u30fbRKS \u30fb\u30a8\u30cd\u30eb\u30ae\u30fc\u4e00\u70b9\u8a08\u7b97 \u30fb\u771f\u7a7a\u4e2d \u5b9f\u884c\u74b0\u5883 CPU: GPU: Memory: HDD: \u8a73\u7d30\u8aac [<a title=\"\u4f1a\u54e1\u767b\u9332\u304c\u5fc5\u8981\u3067\u3059\" href=\"https:\/\/www.cenav.org\/kdb\/?p=164\">\u5168\u6587\u3092\u8aad\u3080<\/a>]<\/p>\n","protected":false},"author":46,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[162,163,54],"tags":[],"_links":{"self":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts\/164"}],"collection":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/users\/46"}],"replies":[{"embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=164"}],"version-history":[{"count":0,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts\/164\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=164"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=164"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=164"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}