1) broken symmetry approach
对称性破损态
1.
On the basis of the broken symmetry approach and density functional theory (DFT), the magnetostructural characterization of cyanato-bridged Cu (Ⅱ) dimers in EO coordination mode has been studied.
在密度泛函理论的框架下,采用对称性破损态方法,以{Cu2(C2H4N2)2(N, N-μ-NCO)2}2+为模型化合物,研究氰酸根EO方式桥联双核铜配合物的磁构效关系,进一步证实了通过CuNCu间的三中心d-p-dσ反键的超交换作用与磁偶合构效关系的本质联系。
2.
On basis of the broken symmetry approach and density functional theory (DFT), the magnetostructural characterization of azido-bridged Cu (Ⅱ) dimers is studied which have end-to-end (EE) and end-on (EO) two main coordination modes.
在密度泛函理论的框架下 ,采用对称性破损态方法 ,对EE ,EO两种连接方式叠氮酸桥联双核铜模型配合物进行计算 ,结果表明 ,EE方式连接为反铁磁偶合 ;EO方式则为铁磁偶合 ,但只发生在θ =91°~ 10 7°区间 ,与实验值96°~ 10 4°基本一致 。
2) broken symmetry
对称性破损
1.
A theoretical study on magneto structural correlation for binuclear Cu(Ⅱ) complexes bridged by single N-N group from diazine has been investigated by using broken symmetry approach within the framework of density functional theory.
在密度泛函理论的框架下 ,应用对称性破损方法 ,研究了以N—N基团为单桥的二嗪类双核Cu(Ⅱ )体系的磁耦合强度及磁 -结构关联 。
3) broken symmetry approach method
对称破损态方法
4) Broken symmetry approach
对称性破损方法
1.
Computational Quantum Chemical Investigation on Heterospin System Consisting of Metal(Ⅱ) Ion and Aminoxyl Radicals by Using Broken Symmetry Approach and Density Functional Theory;
利用对称性破损方法和密度泛函理论对含顺磁离子与有机自由基配合物磁学性质的量子化学理论研究
2.
Calculations on the magnetic coupling interaction in the mixed bridged trinuclear nickel complexes with triazole and isothiocyanate bridge ligands have been carried out by using the density functional theory combined with the broken symmetry approach (DFT-BS).
用密度泛函理论结合对称性破损方法 (DFT BS)研究了混合桥联三核镍配合物的磁交换耦合作用 。
3.
The magnetic coupling mechanism of extendedly bridged dimers such as oxalato- and oxamido- bridged Cu(Ⅱ)dimers have been investigated by using the density functional theory and the broken symmetry approach.
应用密度泛函理论,采用对称性破损方法研究了草酸根桥联及草酰胺桥联双核铜(Ⅱ)体系的磁耦合作用机理。
5) symmetry breaking
对称性破缺
1.
We calculate and discuss the threshold voltage u_(th) and the parameter Δ which reflects the symmetry breaking of the director distribution at the middle layer of the cell.
着重考虑了挠曲电效应的影响,导出了指向矢倾角θ满足的微分方程和边界条件,计算和讨论了阈值电压以及指向矢分布对盒中央平面对称性破缺参量Δ。
2.
But symmetry breaking,as the assistant design principles of the universe,is an indirect form of the implicit symmetry.
寻求内在的对称与和谐是宇宙设计的最基本原则,但对称性破缺,作为宇宙设计的辅助原则,则是隐含对称性的间接表现形式。
3.
Besides,it was demonstrated that the(3,9+2)-circle and(9+2,3)-circle fractal sets are golden ones with symmetry breaking.
另外证实了(3,9+2)或(9+2,3)分圆分形花样是一个对称性破缺的黄金分形。
6) broken symmetry
对称性破缺
1.
In this paper we discuss the classification and characteristics of symmetry in physics,analyze in detail the connection between broken symmetry and phase transition as a process from disorder to order in physical systems,and discuss the prerequisite conditions to the appearance of broken symmetry.
本文将扼要介绍物理学中对称性的分类及其特征,说明对称性破缺与一物理系统从无序到有序的相变过程间的关系,并讨论了对称性破缺出现的前
补充资料:对称性匹配组态
分子式:
CAS号:
性质: 指组态函数不仅要满足关于交换的反对称性,而且要满足空间对称性并成为自旋算符的本征函数。
CAS号:
性质: 指组态函数不仅要满足关于交换的反对称性,而且要满足空间对称性并成为自旋算符的本征函数。
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