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1) The water molecule should be moved so as to make a direct H-bond with the main molecule, in particlar it should be placed near H2N, with which it makes the strongest H-bond. In principle, solvates should be positioned so as to need as few as possible symmetry codes to describe their H-bonding interactions (See Instruction for Authors, "IfA" . By the way, the "padding" phrase about the "stabilization character" of the H-bonding interaction, of a rather dubious relevance in this strongly covalent structure, should be elliminated.请问该如何移动游离水形成直接氢键?第二段话不知道大家有什么见解? |
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4楼2009-05-21 10:50:46
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sunshanqi
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5楼2009-05-21 15:52:53












. By the way, the "padding" phrase about the "stabilization character" of the H-bonding interaction, of a rather dubious relevance in this strongly covalent structure, should be elliminated.
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