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wy_why007

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[交流] 【求助】投acta cry e被拒,作者写的意见,我该如何解决他提的问题? 已有1人参与

投acta cry e被拒,作者写的意见,我该如何解决他提的问题?

刚投acta cry e 被拒,求各位大侠帮忙!
下列是作者提的意见:
There is a very strong O-H-O hydrogen bond in the structure - with the O...O distance about 2.42 \%A. The hydrogens are situated about the centre between these oxygens. However, the authors missed this fact because they inaptly constrained  the hydrogen. The discussion is erroneous becuase the author misinterprete the shorter pertinent P-O distances.

Moreover, the applied theta limit is too low for such a structure.

Please remeasure the structure to higher theta angles.
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huahua1216

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wy_why007(金币+10): 2010-07-26 10:09:49
谁上的氢用dfix或者himp限制一下 不要把氢放到中间 还有PO距离也看看
结构中是否用了omit命令 theta角度太低了
2楼2010-07-26 08:55:40
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