1) ionic clusters
离子簇合物
1.
Using Gaussian 94 ab initio computer program, at the UMP2 level with a 6-311G basis set, the equilibrium geometry of the ionic clusters N+2Nen(n=1,2,3) have been full optimized and identified through the analysis of vibrational frequencies.
利用Gausian94量子化学从头算程序,选择UMP2/6-311G方法,对N+2Nen(n=1,2,3)的离子簇合物进行了几何全优化,并通过频率分析确认了体系的稳定构型,得到了各稳定簇合物的离解能。
2) Pentaconta-nuclear silver anionic cluster complex
50核银阴离子簇合物
3) Cluster
[英]['klʌstə(r)] [美]['klʌstɚ]
原子簇合物
1.
Framework Chirality Clusters and Asymmetric Catalysis;
手性原子簇合物与不对称催化反应
4) metallocrown ethers containing b
铁硫簇冠醚金属离子配合物
5) polynitrogen compounds
氮原子簇化合物
1.
In order to investigate the structural characteristics and stability of some typical polynitrogen compounds in molecular level,such as N+5,N-5,N8 and N10,the structures of them were optimized by B3LYP method on 6-31G(d,p) basis set.
为了从分子水平探索典型氮原子簇化合物N5+、N5-、N8、N10的结构特征和稳定性,采用B 3LYP方法,在6-31G(d,p)基组水平下对N5+、N5-、N8、N10的结构进行了优化,得到稳定的几何构型和分子轨道。
6) cluster compounds
原子簇化合物
1.
Third-order nonlinear optical properties of the Mo(W,V)/S/Cu(Ag,Au)cluster compounds;
含硫原子簇化合物的三阶非线性光学性质
补充资料:簇合物
分子式:
CAS号:
性质:见原子簇化合物
CAS号:
性质:见原子簇化合物
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