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tony199(½ð±Ò+1):лл²ÎÓë
yjcmwgk(½ð±Ò+2): 2010-03-23 13:33
Try "PCM" first. If it doesn't work, you may want to try "IEFPCM" or "CPCM".

Example:    scrf(pcm,solvent=water)
2Â¥2010-03-22 22:34:27
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bookworm11

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tony199(½ð±Ò+1):лл²ÎÓë
yjcmwgk(½ð±Ò+2): 2010-03-24 19:08
ÔÚroute section Àï¼ÓÈ루scrf=pcm solvent=...£©ÊÇʲôÈܼÁ¾ÍдʲôÈܼÁ

[ Last edited by bookworm11 on 2010-3-23 at 17:38 ]
god help those who help themselves
3Â¥2010-03-23 17:37:43
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faqianliu

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4Â¥2010-03-23 19:20:51
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5Â¥2010-03-23 20:14:58
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tony199

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I'll have a try.ÓÃË®×öÈܼÁµÄʱºòÄÇÖÖ·½·¨×ö³öÀ´µÄ±È½Ï½Ó½üʵÑéÄØ  SCIPCM£¬IPCM£¬Dipole£¬PCM£¿ÄÇÖÖ£¿
7Â¥2010-03-25 08:23:06
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yaoed

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yjcmwgk(½ð±Ò+2): 2010-04-10 11:36
g03ĬÈϵÄÊÇIEFpcm¡£ipcm¸ø³öµÄ½á¹ûÓ¦¸ÃºÃÒ»µã£¬µ«ÕâÖÖ·½·¨Ì«°º¹ó£¬¶ÔÓÚ´óµÄÌåϵ²»½¨ÒéʹÓá£cpcm¡¢cosmo¸ø³öµÄ½á¹ûºÍpcm²î±ð²»ÊǺܴ󣬵±È»¶ÔÓÚ´óÌåϵ²î±ð¾Í»áÌåÏÖ³öÀ´ÁË¡£½¨ÒéÏÈʹÓÃcpcm¡£
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8Â¥2010-04-10 09:23:31
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Originally posted by yaoed at 2010-04-10 09:23:31:
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9Â¥2010-04-10 11:36:49
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