1) bridged-hydrogen-bonded complex
桥式氢键化合物
2) Bridged B-H bond
桥式硼氢键
3) 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。
4) 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。
5) hydrogen bond complex
氢键络合物
1.
All of the equilibrium geometries of the titled hydrogen bond complexes are optimized by ab initio SCF MO method at the level of 3-21 G basis set.
采用ab intio能量梯度方法(3-21 G基组)分别优化了HCN与CO,CO_2和H_2CO3个分子形成的氢键络合物的几何构型。
6) bridging hydride complexes
桥联氢化物
补充资料：反式化合物
分子式：
分子量：
CAS号：
性质：见几何异构。
分子量：
CAS号：
性质：见几何异构。
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