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一統(tǒng)網(wǎng)絡銀蟲 (正式寫手)
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[求助]
求助高氯酸根(ClO4-)無序處理的描述 已有2人參與
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晶體結構中有個高氯酸根無序了,結構見附件,我對精修過程做了描述,如下: Specially, the uncoordinated ClO4- in 1 was modelled to be rotationally disordered about Cl1–O3 bond, and then it was divided into two parts, in which O1, O2 and O4 was limited to be 1/2 occupancy for refinement. 審稿意見回來后,審稿人的意思好像是說描述的不對?意見如下,不知道應該如何描述才對? (c) The disorder of ClO4- is about a special position (2-fold axis); |
木蟲 (正式寫手)
木蟲 (正式寫手)
銀蟲 (正式寫手)
至尊木蟲 (正式寫手)

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