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6Â¥2012-11-09 18:05:35
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6Â¥: Originally posted by abdoman at 2012-11-09 18:05:35
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6Â¥: Originally posted by abdoman at 2012-11-09 18:05:35
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cenwanglai: ½ð±Ò+1, Thanks again~ 2012-11-11 14:20:23
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8Â¥: Originally posted by gongxd325 at 2012-11-09 19:33:26
B3LYP/6-31G*ÔÚLinuxºÍWindowsϵÄGaussian°æ±¾ÖеÄÊä³ö¸ñʽ²»Ò»Ñù£¬·Ö±ðÊÇB3LYP\6-31G(d)ºÍB3LYP|6-31G(d)¡£ÎÒÏëÈ·ÈÏÔÚGaussianµÄÊä³ö½á¹ûÖÐÓõķ½·¨¶¼ÊÇB3LYP/6-31G*£¬Ò²¾ÍÊÇҪȷÈÏÎĵµÖдæÔÚB3LYP\6-31G(d)»òÕß ...

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9Â¥2012-11-10 19:14:15
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