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tyxcn木蟲(chóng) (正式寫(xiě)手)
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[求助]
各位大俠,200金幣求助晶體解析氫鍵問(wèn)題 已有2人參與
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審稿人意見(jiàn)如下: In both structures, the hydrogen atoms are refined as riding models. When determining the structures of organic molecules hydrogen atoms on heteroatoms that serve as hydrogen bond donors are typically located from residual electron density and freely refined. This is particularly necessary in a structure determination such as this where the positions of the hydrogen atoms are of supreme importance to the overall research. By refining these hydrogen atoms as riding models, the authors deprive themselves of very important information regarding the nature of these hydrogen bonding interactions. By not freely refining these hydrogen atoms, it is impossible to judge any claims about the effect of polarization on them. 可是Q峰加氫我弄不好,麻煩各位大俠了! |
至尊木蟲(chóng) (正式寫(xiě)手)
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木蟲(chóng) (正式寫(xiě)手)
木蟲(chóng) (正式寫(xiě)手)
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