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huangshp

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ggdh

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2Â¥2011-02-08 06:09:03
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huangshp

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3Â¥2011-02-08 12:25:43
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galaxyqtm

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Use gas phase optimized GEO as the initial GEO, further optimize it in the solution. It will save a lot time.
Which solvation model are you using?
4Â¥2011-02-09 00:31:29
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huangshp

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5Â¥2011-02-09 12:42:14
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yjcmwgk

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Originally posted by huangshp at 2011-02-08 12:25:43:
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6Â¥2011-02-09 16:04:26
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Originally posted by ggdh at 2011-02-08 06:09:03:
ºìÒÆÁËÕâô¶à¡£¡£Ò»°ã¼ÓÈܼÁ»áºìÒÆµÄ¸ü¶à¡£ÄãÓõÄʲô·ºº¯£¿

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7Â¥2011-02-09 16:07:14
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ggdh

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8Â¥2011-02-09 18:33:13
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recoli

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9Â¥2011-02-09 19:19:33
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yjcmwgk

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Originally posted by ggdh at 2011-02-09 18:33:13:
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10Â¥2011-02-10 10:10:42
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