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phoeby_ice

金虫 (小有名气)

[交流] 【求助】审稿人的回复,不懂...

[1] For a non-centrosymmetric structure with only light atoms and  refined with MoKalpha data the anomalous dispersion effects are  negligible and therefore Friedel pairs should be merged. The  structure should be refined again with the MERG 3 instruction  included in the SHELXL ins file.
该怎么做啊?

[2]f there are multiple similar molecules in the asymmetric unit it  should be mentioned in the Abstract.

Also the most important feature of the the structure is the hydrogen  bonding and this should be described in the Abstract. What types of  hydrogen bonds are present and what is the overall hydrogen  bonded structure? one-dimensional, two dimensional or three  dimensional.
晶体是两分子组成一个单元,怎么描述呢?形成的氢键很多,各个方向都有,是不是就是three  dimensional?

谢谢大家~~~
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kfwangguan

木虫 (小有名气)

phoeby_ice(金币+1):谢谢回帖!用platon可以查看么? 2010-09-06 10:31:19
形成的氢键很多,各个方向都有,是不是就是three  dimensional?

这个不一定 你得沿 abc 轴定向生长 如果都有平面 才是3D的
2楼2010-09-06 10:05:27
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kfwangguan

木虫 (小有名气)

phoeby_ice(金币+1):呵呵,谢谢,正学diamond呢! 2010-09-06 10:57:15
platon看氢键比较方便,不过我还是习惯用Diamond 呵呵
3楼2010-09-06 10:39:54
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phoeby_ice

金虫 (小有名气)

大家帮帮忙吧....现在就差第一条不会弄了...
4楼2010-09-06 15:39:09
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fjytsk

金虫 (小有名气)

第一条最好解决了,审稿人要求在ins里加 MERG 3 指令后重新精修就可以了
5楼2010-09-10 07:27:32
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