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justafly

木虫 (小有名气)

[交流] 如何回答审稿人的意见

投了一篇论文,审稿人的意见如下:
The experimental refinement section simply states that the H atoms were freely refined, however this is not correct: most H atoms were placed in constrained positions. Please give details as to how the H atoms were placed, and also give more details about the 3 restraints that were used, i.e. give the values of the bond lengths and angles that were used.

本人是初搞晶体,对上述意见都看不明白,请高手帮忙解释一下,能够上面问题搞定。
如果能给出英文的回复,本人更感激不尽!
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zcy800204

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paopaomeng(金币+1,VIP+0):谢谢交流 9-11 17:14
justafly(金币+5,VIP+0): 9-12 08:09
H atoms were placed in geometrically idealized positions and
constrained to ride on their parent atoms, with d(C—H) of 0.93 to
0.97 Å, and with Uiso(H) = 1.2 Ueq(C). All H atoms on N atoms
were found in difference Fourier and refined with Uiso(H) = 1.2
Ueq(N).
2楼2009-09-11 11:19:35
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xi2004

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paopaomeng(金币+1,VIP+0):谢谢交流 9-11 17:15
justafly(金币+3,VIP+0): 9-12 08:09
你要把最终的.res贴出来, 大家看了才知道如何描述.
xi2004-emuch@163.com
3楼2009-09-11 11:22:53
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