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blueybz

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Originally posted by suosuosky at 2011-04-06 12:54:01:
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suosuosky

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Originally posted by blueybz at 2011-04-13 15:12:11:
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blueybz

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375642546(½ð±Ò+1): 2011-04-15 08:41:52
suosuosky(½ð±Ò+1): 2011-04-15 13:23:36
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Originally posted by suosuosky at 2011-04-15 08:28:58:
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haweilan_sy

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Originally posted by suosuosky at 2011-04-06 12:54:01:
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10Â¥2011-04-15 09:05:05
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suosuosky

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Originally posted by haweilan_sy at 2011-04-15 09:05:05:
ÎÒÒ²ÏëÎÊÕâ¸öÄØ£¬ÎÒËãecd£¬ÎªÊ²Ã´Ö»ÓÐÓÃnstates=3,root=1ʱ²ÅÄܳöÏÖ¶à·å£¬¶øÆäËûµÄ¾ÍÖ»ÄܳöÏÖÒ»¸ö·å£¬ÎҵĹؼü×ÖÊÇ# B3LYP/6-31G td=(nstates=3,root=1)    iop(6/7=3,9/40=3) £¬ÕâÒ²ÊÇÎÊÀ´µÄ£¬»¹ÓÐ iop(6/7=3, ...

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