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beanundersky
2012-04-11
2012-04-13 14:59:31
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beanundersky
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coolrainbow
2012-04-12
2012-04-13 10:45:18
by
lihb734
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ZJboy
2011-02-26
2012-04-13 00:59:51
by
ZJboy
[
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301´íÎó
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lei234
2012-04-11
2012-04-12 10:53:49
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ÎÒµÄСÃû
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Gaussian
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jingetiema61
2012-04-11
2012-04-11 17:22:20
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chiweijie
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milanforza
2012-04-11
2012-04-11 17:07:07
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milanforza
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lionlian
2012-04-09
2012-04-11 09:05:17
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sciencechn
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materials studioÄܼÆËã¶þÃæ½ÇŤÇúÄÜÂ
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huixiecn
2012-04-10
2012-04-10 14:30:03
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huixiecn
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767550995
2012-04-08
2012-04-10 11:42:22
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zt_chem
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xpzhang1988
2012-04-09
2012-04-10 09:23:43
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zxdjewett
2010-07-25
2012-04-10 09:12:27
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agent99
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lei234
2012-04-08
2012-04-09 18:55:40
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lei234
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2012-04-09
2012-04-09 18:32:47
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CdTeÁ¿×Óµã
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ÏÄÓêÏÄÓê
2012-03-20
2012-04-09 18:27:15
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Illusionist
2012-04-09
2012-04-09 16:50:54
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neu234
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jingetiema61
2012-04-07
2012-04-08 21:10:55
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jingetiema61
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kaluoyi2008
2012-04-07
2012-04-08 12:37:20
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119243775
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jingetiema61
2012-04-06
2012-04-07 16:51:25
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jingetiema61
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569480531
2010-04-30
2012-04-07 09:51:01
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lixiaocat
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xushidang
2011-01-05
2012-04-06 20:43:36
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qiqiqiqi
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jingetiema61
2012-04-04
2012-04-05 16:57:51
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jingetiema61
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gmy1990
2012-03-20
2012-04-04 11:00:42
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bird37
2012-03-31
2012-04-04 09:59:03
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jingetiema61
2012-04-03
2012-04-04 00:41:24
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jingetiema61
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tuzi198711
2012-04-03
2012-04-03 14:17:44
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tuzi198711
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lei234
2012-04-01
2012-04-02 10:22:00
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ÇïÓê×Ó
2012-04-01
2012-04-02 09:02:23
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jingetiema61
2012-03-31
2012-03-31 17:43:47
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jingetiema61
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tiechong
2012-03-30
2012-03-31 14:39:09
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fatpig8832
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lei234
2012-03-31
2012-03-31 11:11:37
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yalefield
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anna-80
2012-03-30
2012-03-30 23:59:01
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mchen10
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ءį
2011-03-11
2012-03-30 15:55:27
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ldzh0531
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POTATO_LIA
2011-03-10
2012-03-30 14:52:33
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ÉϹÙÉϹÙ
2012-03-15
2012-03-30 12:27:37
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ilxmc
2012-03-29
2012-03-30 12:27:23
by
ilxmc
[
Gaussian
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gaussian Error termination via Lnk1e in /opt/gaussian/g09/l1002.exe
(5/2342)
chunchi77726
2012-03-27
2012-03-29 17:02:36
by
chunchi77726
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Ò½ÎÞÖ¹¾³
2012-03-26
2012-03-29 15:53:23
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Joannaouc
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rongfu1937
2010-12-22
2012-03-29 12:52:39
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sxchen
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ilxmc
2012-03-27
2012-03-28 17:18:29
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ilxmc
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guodongfang
2011-04-01
2012-03-28 16:59:51
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zhou2009
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¡¾ÇóÖú¡¿ÇóÖútorqueʹÓÃÎÊÌâ
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mengfc
2011-03-26
2012-03-28 07:06:50
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sureserver
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С³æÃÔ
2012-03-27
2012-03-27 19:04:01
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Neoo
2010-09-15
2012-03-27 17:39:53
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zjsgdqz
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qijihaiyu
2010-10-11
2012-03-26 12:03:45
by
leephy
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dipole moment derivative ÔõüNÓ‹Ëã
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chunchi77726
2011-07-13
2012-03-25 20:32:33
by
rhxx
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ÐÇÔÆ4
2011-01-11
2012-03-25 07:30:35
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kaoyangentle
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yhaih52
2012-03-22
2012-03-24 17:01:23
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ÀÏ´ó3038
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sunzhiguo
2010-05-17
2012-03-23 00:30:27
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agent99
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qwerasdf2783
2011-01-08
2012-03-22 16:59:56
by
nedved33
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Gaussian
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renxingye
2010-12-29
2012-03-22 16:58:02
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nedved33
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±¼öè
2010-10-31
2012-03-21 07:26:33
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ludeng8710
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С³æÃÔ
2012-03-20
2012-03-20 22:10:11
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hakuna
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xhuama
2012-03-19
2012-03-20 14:48:27
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aimonkey
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2012-03-19
2012-03-20 14:18:35
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Jasminer
2012-03-19
2012-03-20 13:25:47
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sculhf
2010-09-19
2012-03-19 22:25:35
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zml2009
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¹ý¶É̬ËÑË÷
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wangyoucheng
2012-03-14
2012-03-19 09:55:42
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wangyoucheng
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xijiewei
2010-05-09
2012-03-19 06:07:00
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yjcmwgk
2012-03-15
2012-03-18 10:29:12
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xiaowandouer
2010-10-14
2012-03-17 14:15:10
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youzhizhe
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kexueshi
2012-02-16
2012-03-15 21:35:30
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TaoB
2010-05-13
2012-03-14 17:48:04
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yyqiao
2011-05-10
2012-03-14 09:09:25
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liping888
2012-03-10
2012-03-13 09:05:20
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yoghurt117
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chiweijie
2012-03-10
2012-03-10 13:10:18
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kekexiliwolf
2011-01-11
2012-03-10 11:32:54
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2012-03-08
2012-03-10 10:35:31
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Quan.
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mophyworld
2012-03-07
2012-03-09 22:14:30
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mophyworld
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tiechong
2012-03-09
2012-03-09 14:31:13
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Ã×СÄê
2012-03-07
2012-03-09 08:51:25
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tephoon78
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zxl102623
2010-12-21
2012-03-09 06:16:29
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2010-08-30
2012-03-08 13:54:07
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coolrainbow
2012-03-05
2012-03-08 11:51:32
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xiaomu01
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woxiangfei
2012-03-07
2012-03-08 10:58:59
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2012-03-07
2012-03-08 10:54:51
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mamafanfan
2012-03-07
2012-03-08 10:21:07
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mophyworld
2012-03-02
2012-03-07 12:21:33
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yull1982
2010-05-24
2012-03-07 06:15:11
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66jia66
2010-09-11
2012-03-06 03:45:18
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Óãåú
2011-06-21
2012-03-05 08:58:32
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2012-03-02
2012-03-03 22:25:12
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yijianglan
2010-04-19
2012-03-03 12:33:27
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chujiajie
2012-03-02
2012-03-02 18:47:31
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lixf
2012-02-29
2012-03-01 11:38:07
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sjsznh
2012-02-10
2012-02-27 21:26:06
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jingetiema61
2012-02-24
2012-02-27 10:16:46
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tianlangxingaa
2012-01-13
2012-02-27 05:45:56
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tiancj
2012-02-23
2012-02-24 12:26:18
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dogone
2012-02-23
2012-02-24 08:55:28
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gothicfat
2011-06-24
2012-02-23 14:04:09
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2012-02-16
2012-02-23 12:35:33
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gemma84
2012-02-22
2012-02-23 09:47:18
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Jldbaobei
2010-12-03
2012-02-23 09:31:52
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2012-02-21
2012-02-22 17:58:19
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auybv
2012-02-22
2012-02-22 09:31:37
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zhuanglhnj
2012-02-20
2012-02-21 16:50:15
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2012-02-19
2012-02-20 15:38:38
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bjwang
2011-01-31
2012-02-20 10:31:25
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2012-01-12
2012-02-16 10:27:29
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