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linyan123

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stevenabing

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2Â¥2012-12-11 20:16:57
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liu_fl

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2Â¥: Originally posted by stevenabing at 2012-12-11 20:16:57
http://gausssum.sourceforge.net/

ÄãºÃ,ÎÒÏÂÔØÁËgausssumÈí¼þ£¬½âѹºóÓò»ÁË£¬³öÏÖ
see the logfile" c :\documents and settings\administrator\×ÀÃæ\gausssumexe-2.2.6.1(1)\gausssumexe-2.2.6.1\gausssum.exe.log"for details.
3Â¥2013-11-11 06:26:10
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liu_fl

ľ³æ (СÓÐÃûÆø)

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3Â¥: Originally posted by liu_fl at 2013-11-11 06:26:10
ÄãºÃ,ÎÒÏÂÔØÁËgausssumÈí¼þ£¬½âѹºóÓò»ÁË£¬³öÏÖ
see the logfile" c :\documents and settings\administrator\×ÀÃæ\gausssumexe-2.2.6.1(1)\gausssumexe-2.2.6.1\gausssum.exe.log"for details....

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4Â¥2013-11-11 06:27:08
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stevenabing

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5Â¥2013-11-11 10:33:43
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liu_fl

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
5Â¥: Originally posted by stevenabing at 2013-11-11 10:33:43
°²×°ºóµÄ·¾¶Öв»Òª³öÏÖÖÐÎÄ×Ö·û£¬ÄãµÄÎļþÃûºÍ´æ·ÅµÄµØ·½Ò²²»Òª³öÏÖÖÐÎÄ×Ö·û¡£

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6Â¥2013-11-12 01:54:02
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5Â¥: Originally posted by stevenabing at 2013-11-11 10:33:43
°²×°ºóµÄ·¾¶Öв»Òª³öÏÖÖÐÎÄ×Ö·û£¬ÄãµÄÎļþÃûºÍ´æ·ÅµÄµØ·½Ò²²»Òª³öÏÖÖÐÎÄ×Ö·û¡£

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Starting UVVis.py
Finding the number of the HOMO
No electronic transitions found!.
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7Â¥2013-12-31 22:07:52
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