... flexibility factor 挠度系数 ; 柔性系数 ; 挠曲系数 ; 柔度因子 molecular flexibility 分子柔性 perfect flexibility 完全挠性 ...
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The relationship between molecular energy and dihedral angel is educed by molecular potential energy scanning using the semi-emprirical molecular orbital theory(PM3). Studies the effect of molecular flexibility and rigidity to scale inhibitor.
本文还利用半经验(PM3)方法对缓蚀阻垢剂分子进行势能扫描,得出分子能量和二面角改变的关系,研究了分子柔性、刚性对缓蚀阻垢剂阻垢性能的影响。
参考来源 - 循环冷却水系统中缓蚀阻垢剂的缓蚀阻垢机理的量子化学研究及其应用·2,447,543篇论文数据，部分数据来源于NoteExpress
这篇综述概要介绍分子柔性对接技术的进展并重点介绍分子动力学模拟技术。
This review will outline the recent progress in flexible docking and focus on the molecular dynamics simulation techniques.
分子链的取向程度随柔性间隔链段长度的增加而减小。
The degree of the chain orientation decreases with increase of the length of the flexible chain spacer.
固载方法有柔性配体法、模板合成法、分子渗透法及沸石合成法。
The method of encapsulation included flexible ligand route, template synthesis route, molecular impregnation route and zeolite route.
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