1) chlorine bond
氯键复合物
1.
The optimized stable O3…ClOH chlorine bond complex and O3…HOCl hydrogen bond complex were found on the potential energy surface using density function theory(DFT) method at B3LYP/6-311++G** level.
在DFT-B3LYP/6-311++G**水平上分别求得O3…ClOH氯键复合物和O3…HOCl氢键复合物势能面上的稳定构型。
2) intermacro-molecular complex through hydvogen bonding
高分子氯键复合物
3) halogen-bonded complex
卤键复合物
1.
The study of structures and properties of halogen-bonded complexes between H_2CX,(CH_2)_2X(X=O,S) and fluorine molecule
H_2CX,(CH_2)_2 X(X=O,S)与氟分子间卤键复合物结构和性质的研究
2.
The interaction energies of the halogen-bonded complexes were calculated.
运用量子化学微扰理论MP2和密度泛函B3LYP方法,采用6-311++G(d,p)基组,对H2O,H2S与双卤分子XY(XY=F2,Cl2,Br2,ClF,BrF,BrCl)形成的卤键复合物进行构型全优化,并计算得到了这些体系的分子间相互作用能。
4) hydrogen bonding complex
氢键复合物
1.
The study on hydrogen bonding complexes (considered as super molecules) formed from phenol and a series of amides was carried out using ab initio calculation at HF/6 - 31G basis set level (G94W package) .
运用G94W量子化学程序包,在HF/6-31G基组水平上对酰胺(DMF、DMA、HCONH_2、HCONHCH_3、CH_3CONH_2)与苯酚形成的系列氢键复合物(看作超分子)进行从头计算研究。
5) hydrogen-bonded complexes
氢键复合物
1.
The self-assembly properties and research of hydrogen-bonded complexes are comprehensively reviewed.
本文根据氢键的多重性及不同氢键的缔合方式对氢键复合物进行分类,并对氢键自组装复合物的性质和研究状况作了综述,同时介绍了本研究组在此方面的理论研究工作。
2.
Several parameters,such as the C-O bond length and the natural atomic charge on hydrogen atom of car- boxylic group,the hydrogen-bond length and binding energy of hydrogen-bonded complexes,are linearly correlated with known experi- mental pKa values of carboxylic acids.
应用密度泛函B3LYP/6-311++G~(?)法得30种羧酸分子的优势构象,再计算羧酸-水构成的氢键复合物,获得优势构象和复合物的结构参数,并将这些参数与羧酸pKa值相比。
6) Proton bound complex
质子键合复合物
补充资料：水解蛋白与松香酰氯的反应产物与三乙醇胺的复合物
CAS:68918-77-4
分子式: (C20H29ClO·C6H15NO3·W99)x
中文名称: 水解蛋白与松香酰氯的反应产物与三乙醇胺的复合物
英文名称: Protein hydrolyzates, reaction products with abietoyl chloride, compds. with triethanolamine
Triethanolamine, abietoyl hydrolyzed animal protein
分子式: (C20H29ClO·C6H15NO3·W99)x
中文名称: 水解蛋白与松香酰氯的反应产物与三乙醇胺的复合物
英文名称: Protein hydrolyzates, reaction products with abietoyl chloride, compds. with triethanolamine
Triethanolamine, abietoyl hydrolyzed animal protein
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条