金属团簇 meaning in Chinese
metal cluster
Examples
- We studied the nonlinear optical properties of novel clusters of pentanuclear planar open structure using the excited - state z scan theory
应用激发态z扫描理论研究了平面开式五核金属团簇的非线性光学性质。 - Optical physical parameters and optical limiting are obtained . the study increased our knowledge about optical limiting and optical nonlinear properties of meal clusters
这项研究得出了基于金属团簇的光学非线性参数和限幅性，同时加深了人们对金属团簇材料的认识。 - In the need of adulterating target materials with metal clusters as tracing materials , we calculated the cluster behavior of al materials in theory . the preliminary study was carried out in no more than 7 atoms , considering the much time in calculation and limitation of theory model gaussian98 program , the b3lyp method and the 6 - 311 + g * basis function were used in the calculation
由于靶材料掺入金属团簇示踪材料的需要，我们对铝材料的团簇行为进行了理论计算，考虑到计算量和理论模型的缺陷，初步研究是在7个原子以内进行的。 - Computational simulation in nano size metal cluster in chapter 2 , we use dft to calculate equilibrium geometries and electronic properties of cun ( n = 2 - 13 ) clusters and construct potential function with parameters fitted to potential energy surfaces , use a global minima " basin - hopping " algorithm to obtain minimum - energy structures of cu clusters for n = 13 ~ 410 . the results show in good agreement with experiments and other calculations
纳米金属团簇的计算模拟利用密度泛函方法对小cu簇( n = 2 13 )进行计算并构造了铜原子簇原子间相互作用多体势，用全局优化模拟了中等和大的铜团簇的结构与稳定性，结果证实了铜团簇具有五次对称性和幻数现象。 - 3 . metal supported on ti02 ( 110 ) : calculation and simulation chapter 4 , the properties of k , cu supported on the tio2 ( 110 ) surface have been studied by means of density functional theory , bare clusters models and embedded cluster model to using to obtain dft data and construct interatomic potential
3 .纳米二氧化钦负载金属体系的计算模拟研究我们对纳米金红石型tio :吸附k 、 cu金属原子进行了dft研究，并模拟了金属在纳米金红石型tio :表面的吸附行为，解释了纳米金属簇在金红石型tio :表面吸附的行为，预测了纳米金属团簇在表面生长的机理。