氢键效应(hydrogen bond effect):包括分子间和分子内类型,一般而言,有机物分子形成氢键 会使氢核周围的电子云密度降低,即可发生类似去屏蔽的作用。
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However, the change of polarizabilities with respect to the polarity of solvents is nonmonotonic due to the hydrogen-bonding effect.
然而,由于氢键效应,溶剂的极性与第一超极化率变化关系呈现非单调性。
参考来源 - 有机分子非线性光学性质的理论研究·2,447,543篇论文数据,部分数据来源于NoteExpress
结果:对乙酰氨基酚与PEG 6000之间存在氢键效应,对乙酰氨基酚高度分散在PEG 6000中。
Results:Acetaminophen combined with PEG 6000 by hydrogen bond, and acetaminophen was dispersed in solid dispersion.
但是将计算结果与实验值直接定量比较还有些差距。因此,在开发此类抑制剂时,要更加注意引入原子的电荷效应,而非氢键效应。
Therefore, when developing this kind of inhibitors, we should pay more attention to the charge effect brought by the introduced atoms, but no hydrogen bonding effects.
从配体间的电子效应、疏水效应和氢键作用等方面对配合物的额外稳定性进行了讨论。
The extra stability was studied based on electronic effect, hydrophobic effect and hydrogen bonding of ligands.
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