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cmj_1237

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You did not answer my question about treatment of hydrogens of the methyl group - I need to know if their positions were rotationally optimized (what was AFIX code?).
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maomao11259

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cmj_1237(½ð±Ò+3): 2011-07-20 13:27:06
drg1984(½ð±Ò+1): ¸Ðл»ØÌû½»Á÷£¬Ï£Íû³£À´£¡ 2011-07-20 15:48:10
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cmj_1237

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Originally posted by cmj_1237 at 2011-07-20 12:23:43:
You did not answer my question about treatment of hydrogens of the methyl group - I need to know if their positions were rotationally optimized (what was AFIX code?).
Çë¸ßÊÖ°ïæ£¬ÔõôÕÒµ½AFIX code ...

AFIX code
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drg1984(½ð±Ò+1): ¸Ðл»ØÌû½»Á÷£¬Ï£Íû³£À´£¡ 2011-07-20 15:48:20
cmj_1237(½ð±Ò+7): 2011-07-20 16:31:40
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