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WanderingHeart

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3Â¥: Originally posted by xzh410512206 at 2015-10-16 19:37:38
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7Â¥: Originally posted by 1031100146 at 2015-10-17 14:50:40
ÄãÓõĻù×é¶Ô½á¹ûÓ°ÏìºÜ´ó£¬¼ÇµÃÒ»¶¨Òª¼ÓÃÖÉ¢º¯Êý£¡PVTZÒ»°ãЧ¹ûºÜºÃµ«½ÏºÄʱ

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1031100146

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8Â¥: Originally posted by xzh410512206 at 2015-10-17 16:26:07
   Õâλ´óÏÀÄã×ö¹ýËãż¼«¾àµÄ°É   
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xzh410512206

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9Â¥: Originally posted by 1031100146 at 2015-10-18 11:40:53
1¡¢    # opt b3lyp/6-31+g scrf=(cpcm,solvent=methanol)
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