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3Â¥: Originally posted by gujing136 at 2012-11-09 22:25:01
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gmy1990: ½ð±Ò+2 2012-11-10 18:44:53
1maomao: ½ð±Ò+10, ¡ï¡ï¡ïºÜÓаïÖú 2012-11-13 14:08:33
Popular Theoretical Methods Predict Benzene and Arenes to be Nonplanar
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ÒýÓûØÌû:
2Â¥: Originally posted by yflchx at 2012-11-09 21:18:43
Popular Theoretical Methods Predict Benzene and Arenes to be Nonplanar
JACS 128,9342(9342)

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