HBON:氢键能
氢键能(Hydrogen Bond Energy,常缩写为HBON)是化学与材料科学中描述氢键相互作用强度的关键物理量。该术语广泛应用于分子模拟、溶液化学及生物大分子结构分析等领域,其缩写形式便于学术文献和实验记录中的高效表达与交流。
Hydrogen BONd energy具体释义
Hydrogen BONd energy的英文发音
例句
- The factors influenced the hydrogen bond strength was discussed. The hydrogen bond energy in polypeptides was estimated.
- 探讨影响氢键性质的主要因素,并对氢键键能进行了初步估算。
- The hydrogen bond energy is smaller, but its existence actually aspects to the material nature, and structure so on.
- 氢键的键能较小,但其存在却对物质的性质,结构等方面有很大影响。
- The combination energy includes hydrogen bond energy and electrostatic energy of ionic-pair, and contribution of the later is main.
- 结合能包括氢键作用能和正负离子的静电作用能,后者为主要贡献。
- In all calculations we use the 6-31G ( d, p ) basis set. Basis set superposition error ( BSSE ) is corrected and the upper and lower limits of BSSE are determined for the water-water hydrogen bond energy.
- 计算中选用6-31G(d,p)基组,分别用完全平衡校正和不完全校正法进行校正,这两种方法给出了基组重叠误差(BSSE)的上限和下限。
- It was found that ( I ) Hydroxyls of HYP at position 1,2 could form intramolecular hydrogen bond ( IHB ) through crossing a barrier of about 20kJ / mol and rotating around C-0 bond, and the hydrogen bond energy was estimated to be approximately 10kJ / mol.
- 发现:1.HYP1,2位OH可越过20kJ/mol左右的势垒,绕C&O键旋转而形成分子内氢键,并估算出键能约为10kJ/mol;
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