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[ Last edited by yjcmwgk on 2011-1-19 at 19:18 ]
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yzw525838362(½ð±Ò+1):лл²ÎÓë
yzw525838362(½ð±Ò+1): 2011-01-19 11:23:58
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2Â¥2011-01-18 21:44:15
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yzw525838362

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ÒýÓûØÌû:
Originally posted by gmy1990 at 2011-01-18 21:44:15:
²»ÊǸßÊÖ£¬Ã»Óз¢ÏÖÓÐɶÎÊÌâ

ллÈö£¬ÄãÒÔǰ×ö¹ýƵÂʵļÆËãÂð£¿ÊDz»ÊÇÒ²ÊÇÕâÑù×öµÄ£¿
3Â¥2011-01-19 08:53:29
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yzw525838362(½ð±Ò+1):лл²ÎÓë
yzw525838362(½ð±Ò+1): 2011-01-19 11:22:43
u can have a try to verify
4Â¥2011-01-19 09:08:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hexinchem

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yzw525838362(½ð±Ò+1):лл²ÎÓë
yzw525838362(½ð±Ò+1): ллÈö 2011-01-19 11:23:47
ûÓÐÎÊÌâ°¡~ ÎÒÊÇÕâÑù×öµÄ
8Â¥2011-01-19 11:13:27
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yzw525838362

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by manson1998 at 2011-01-19 09:08:03:
u can have a try to verify

ÊDz»ÊǺÍÓÃÒÇÆ÷²â³öÀ´µÄºË¶ÔÏ£¿
9Â¥2011-01-19 11:23:16
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ailingzhihun

½ð³æ (ÖøÃûдÊÖ)


¡ï
yzw525838362(½ð±Ò+1):лл²ÎÓë
ÒýÓûØÌû:
Originally posted by yzw525838362 at 2011-01-18 10:53:11:
ÒòΪ²»»áÉÏ´«Í¼Æ¬£¬²½ÖèÔÚ¸½¼þÀïÃæ£¬ÓÐʲô²»¶ÔµÄµØ·½£¬Ï£Íû´óÅ£ÃÇÄÜÖ¸µ¼Ð¡µÜÒ»µãµã
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È»ºóÑ¡Ôñgview±êÌâÀ¸µÄcalculateÖеÄgaussian calculation setup£º
Ñ¡Ôñ¡°job type¡±±êÌâ ...

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10Â¥2011-01-19 11:23:18
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yzw525838362

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by hexinchem at 2011-01-19 11:13:27:
ûÓÐÎÊÌâ°¡~ ÎÒÊÇÕâÑù×öµÄ

ÄãËã³öÀ´×¼È·²»£¿ÎÒµÄÔÚgviewÀïÃæ¿´µÃramanÆ×ͼºÍʵÑéÖµ¶Ô²»ÉÏ¡£¡£¡£
11Â¥2011-01-19 11:24:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
yzw525838362(½ð±Ò+1): 2011-01-20 23:06:54
yzw525838362(½ð±Ò+1): 2011-01-20 23:08:08
ÒýÓûØÌû:
Originally posted by yzw525838362 at 2011-01-19 11:23:16:

ÊDz»ÊǺÍÓÃÒÇÆ÷²â³öÀ´µÄºË¶ÔÏ£¿

i mean u first have a try to calculate
then the result can be compared to the experiment.
maybe your computational method or the inital structure is not appropriate
13Â¥2011-01-19 17:58:27
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yzw525838362

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by manson1998 at 2011-01-19 17:58:27:


i mean u first have a try to calculate
then the result can be compared to the experiment.
maybe your computational method or the inital structure is not appropriate

ok,thank you
16Â¥2011-01-20 23:06:21
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2011-01-19 09:25   »Ø¸´  
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2011-01-19 11:36   »Ø¸´  
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2011-01-20 20:01   »Ø¸´  
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