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beefly
2012-08-19
2012-08-22 10:15:01
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lixmc
2012-08-17
2012-08-19 19:01:44
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379164065
2012-08-16
2012-08-19 14:57:08
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myli26
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lixmc
2012-08-17
2012-08-17 17:33:34
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lixmc
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fsh3175
2012-08-15
2012-08-17 10:56:03
by
lishijunzong
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Gaussian
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Ôõô¼ÆËãBSSE
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312080310
2012-08-14
2012-08-16 17:09:17
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hoborchem
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싀릝3182
2010-10-29
2012-08-16 05:53:27
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Ãλ°
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angelxsw
2011-04-12
2012-08-13 07:53:32
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139564@chen
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yongma2008
2011-03-09
2012-08-11 14:24:42
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wuming--007
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ronnie5031
2010-11-17
2012-08-11 14:19:57
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qzhaosdu
2010-12-09
2012-08-10 14:33:24
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nyzhaoyin
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liu261591984
2012-08-09
2012-08-09 16:19:29
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wuming--007
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sq1234
2012-08-05
2012-08-08 00:21:30
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dreamyeye
2012-08-07
2012-08-07 23:18:22
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ZJboy
2012-08-04
2012-08-07 17:18:17
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ZJboy
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gaussian×Ô¶¯Í˳ö
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sq1234
2012-08-07
2012-08-07 17:13:36
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lishijunzong
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coolrainbow
2012-08-05
2012-08-06 20:56:58
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zhongrl898
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tangbaowei
2012-08-03
2012-08-06 12:32:28
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coolrainbow
2012-08-05
2012-08-06 10:53:59
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ZJboy
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gongshua
2010-03-05
2012-08-05 21:20:15
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xijiewei
2010-04-26
2012-08-04 22:52:44
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2012-07-16
2012-08-02 14:16:47
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dreamyeye
2012-07-29
2012-08-01 22:03:10
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alix
2012-08-01
2012-08-01 11:24:01
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abraham89
2012-07-29
2012-07-31 14:33:46
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shengxiang
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dgcrcat
2012-06-17
2012-07-30 14:26:24
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ChemiAndy
2012-06-29
2012-07-29 08:00:40
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zhou2009
2012-07-27
2012-07-28 10:12:35
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bluejh
2011-07-13
2012-07-27 22:33:55
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tiechong
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jingetiema61
2012-07-18
2012-07-27 09:19:49
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cxyuan09
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78494428
2012-07-22
2012-07-26 07:41:48
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ÊéÍòÀï
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kingleaves
2012-07-13
2012-07-25 15:44:18
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xrchen66
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andyO5O6
2011-05-21
2012-07-23 17:57:20
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daixing2011
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qzhaosdu
2010-11-30
2012-07-23 09:02:38
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nanost
2012-07-19
2012-07-20 23:59:52
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nanost
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111222000
2012-07-19
2012-07-20 15:54:55
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111222000
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sci_papers
2012-07-20
2012-07-20 14:03:24
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sci_papers
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tangbaowei
2012-07-19
2012-07-20 08:07:34
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tangbaowei
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Ëï?ª730
2012-07-12
2012-07-16 19:30:13
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Ëï?ª730
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Áù¿éʯͷ
2010-10-12
2012-07-16 18:53:20
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woxiangfei
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suntao1982
2010-11-28
2012-07-16 14:12:33
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ÕÅÌïÀ×
[
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(3/1081)
kent1022
2012-07-13
2012-07-14 00:59:19
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beefly
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lywiailyw
2012-07-12
2012-07-13 16:06:36
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111222000
2012-07-09
2012-07-13 10:10:14
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bianyuan2680
2012-07-11
2012-07-12 17:04:49
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111222000
2012-07-11
2012-07-12 10:52:34
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xk6891
2012-07-10
2012-07-11 21:19:42
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xiaoqian830606
2010-09-08
2012-07-11 13:38:07
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111222000
2012-07-09
2012-07-11 09:14:30
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111222000
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xiaowandouer
2012-07-05
2012-07-10 10:47:52
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xiaowandouer
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winter617
2010-12-10
2012-07-10 06:14:10
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lywiailyw
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yongqzhou
2011-07-22
2012-07-10 04:21:07
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qchem
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3867826
2010-07-05
2012-07-09 10:23:45
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yuliwang
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·ç¸ÉÁË
2010-05-17
2012-07-09 07:20:37
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woxiangfei
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111222000
2012-07-05
2012-07-08 21:36:59
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sobereva
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kent1022
2012-07-07
2012-07-08 17:49:59
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kent1022
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quantumor
2012-07-03
2012-07-08 16:10:32
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woxiangfei
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Ó곿Ìïľ
2012-07-04
2012-07-06 16:23:55
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qxd568910294
2012-07-02
2012-07-05 21:57:54
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happy111839
2011-11-09
2012-07-05 10:33:08
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il701
2010-06-04
2012-07-03 17:06:31
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aywater
2012-06-23
2012-07-02 15:13:20
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willcy722
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hexinchem
2011-04-03
2012-07-02 13:00:47
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2012-06-26
2012-06-30 22:49:27
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2012-06-30
2012-06-30 13:25:25
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yalefield
2012-06-29
2012-06-30 11:55:59
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twtfly
2012-06-26
2012-06-29 12:17:30
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sculhf
2012-06-20
2012-06-28 20:59:47
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vividwill
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gtolv8688
2011-05-15
2012-06-27 18:26:11
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huhuaiyu
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zxl102623
2010-12-24
2012-06-27 11:13:37
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111222000
2012-04-29
2012-06-26 21:17:11
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ZDBWHZ
2011-06-20
2012-06-23 08:37:53
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2012-06-19
2012-06-21 12:22:33
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beefly
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dhc198611
2011-02-27
2012-06-20 12:37:12
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bizi294
2012-06-16
2012-06-19 08:44:25
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2012-06-18
2012-06-18 21:25:29
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2012-06-15
2012-06-18 17:21:37
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2012-06-16
2012-06-18 09:49:37
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2012-06-13
2012-06-18 09:46:56
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2011-03-03
2012-06-18 01:48:24
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2012-06-15
2012-06-17 17:23:19
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2010-07-23
2012-06-17 14:30:24
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2012-06-15
2012-06-15 22:55:09
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2012-06-15
2012-06-15 22:26:48
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2012-06-11
2012-06-15 21:46:11
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2012-06-15
2012-06-15 08:42:06
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2012-01-02
2012-06-15 07:50:43
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2012-06-11
2012-06-13 20:23:26
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2012-06-12
2012-06-12 10:47:12
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2012-05-28
2012-06-11 18:25:08
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xiaowu787
2011-11-29
2012-06-09 17:23:24
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2011-04-12
2012-06-09 16:35:16
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2012-06-07
2012-06-08 21:07:12
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2011-12-29
2012-06-08 09:46:45
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2012-06-06
2012-06-07 22:54:56
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2012-03-12
2012-06-07 18:28:00
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2012-05-31
2012-06-05 17:05:14
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2012-06-03
2012-06-03 16:28:17
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2010-07-15
2012-06-02 12:43:28
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