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biaoxuetj(½ð±Ò+5): 2010-12-01 18:52:42
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Originally posted by biaoxuetj at 2010-11-30 22:09:23:
ÎÒ×ö¹ý¶É̬  Ä¬ÈÏÊÇ298.15KϵÄÊý¾Ý ÎÒÔõô¸ù¾ÝÕâ¸öζÈϵÄÊý¾ÝÇó³öÔÚÆäËûζÈϵÄÈÈÁ¦Ñ§Êý¾Ý£¬±ÈÈçµÈѹÈÈÈÝ£¬±ê×¼ìØ£¬±ê×¼ìÊÕâЩÊý¾Ý°¡  Ð»Ð»

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# freq b3lyp/6-311++G(d,p) SCF=Tight Temperature=298.15
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