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小木虫论坛-学术科研互动平台 » 材料区 » 晶体 » 晶体解析 » 关于水上氢的限制的审稿意见。请教大家，急。7月14日12点之前有效
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wwt1806

木虫 (正式写手)

[交流] 关于水上氢的限制的审稿意见。请教大家，急。7月14日12点之前有效

Hydrogen atom treatment for water molecules is wrong.  The authors state that the hydrogen atoms were located from the Fourier map, implying that they are freely refined.  However, all O-H bond lengths are 0.850 and have clearly been subject to restraints which are not detailed in the manuscript or the CIF.  Any restraints to a crystallographic model most be detailed – there is no problem in using these restraints but it must be clear how the hydrogen positions have been fixed.
意思是说我在给水上加氢是所有的氢原子都给限制了其键长为0.85A，而我在文中却没有指出来。而对于晶体数据中的限制是常见的，但是任何的限制是需要列出来的。

我想这样回答：
all the hydrogen atoms were located from the Fourier map and refined with the O-H bond lengths restrainting of 0.850 A.
不知如何，希望大家指点。该如何写？
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鲲鹏展翅行千里，他日无风假何物？
1楼 2009-07-14 09:54:25
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wwt1806

木虫 (正式写手)
Hydrogen atoms of water molecule were located from the different
Fourier maps and refined isotropically with the O-H distances fixing
on 0.85 Å.

这样应该可以了吧，哈哈，这个是我在李丹的文章中看到的。
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鲲鹏展翅行千里，他日无风假何物？
4楼2009-07-14 10:22:37
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staphlee

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wwt1806(金币+2,VIP+0):看来意思是对的了，呵呵，谢谢交流 7-14 10:20
引用回帖:
Originally posted by wwt1806 at 2009-7-14 09:54:
Hydrogen atom treatment for water molecules is wrong.  The authors state that the hydrogen atoms were located from the Fourier map, implying that they are freely refined.  However, all O-H bond len ...

""all the hydrogen atoms were located from the Fourier map and refined with the O-H bond lengths restrainting of 0.850 A.""

我觉得reviewer的意见只是要你写出来就好了...所以只要有陈述就ok了
不过你的bond lengths restrainting of 0.850 A这句怪怪的
尤其是restraint是名词...如果要当动名词用restraning....
restrainting of?我觉得这样写是不对的...不过还请专家建议一下
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3楼2009-07-14 10:18:38
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xi2004

至尊木虫 (职业作家)
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wwt1806(金币+2,VIP+0):你的意思是把H的Ueq改成-1.2？ 7-14 10:48
引用回帖:
Originally posted by wwt1806 at 2009-7-14 10:22:
Hydrogen atoms of water molecule were located from the different
Fourier maps and refined isotropically with the O-H distances fixing
on 0.85 Å.

这样应该可以了吧，哈哈，这个是我在李丹 ...

你的H的Ueq修正了?不见得吧?
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xi2004-emuch@163.com
5楼2009-07-14 10:37:02
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staphlee

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wwt1806(金币+1,VIP+0):谢谢提醒 7-14 10:48
???????:
Originally posted by wwt1806 at 2009-7-14 10:22:
Hydrogen atoms of water molecule were located from the different
Fourier maps and refined isotropically with the O-H distances fixing
on 0.85 Å.

??????????????????????????????? ...

""... from the different Fourier maps ..... ""
???????...????]???v different Fourier maps
????? difference Fourier maps ...
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6楼2009-07-14 10:40:10
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