| 1. | Third - order nonlinear optical properties of the mo s cu cluster compounds
含硫原子簇化合物的三阶非线性光学性质 |
| 2. | Ordering and clustering occur simultaneously , and no gp zones are found
有序化与原子簇聚过程同时发生，没有发现gp区的存在。 |
| 3. | The analysis of the chemisorption bond has been carried out by means of projection operator techniques
通过用射影算子方法，我们对所有原子簇模型中的化学吸附键进行了分析。 |
| 4. | In instable region the precipitation mechanism of " phase is congruent ordering followed by spinodal decomposition , and ordering occurs prior to clustering
失稳区合金相的早期沉淀机制为：等成分有序化+失稳分解，有序化先于原子簇聚发生。 |
| 5. | Computer simulation was firstly performed on the precipitation mechanism at mean - field spinodal lines in complicated system with ordering and clustering
首次对既存在有序化又存在原子簇聚的复杂体系中平均场失稳线上合金的沉淀机制进行计算机模拟。 |
| 6. | Which combine small clusters , can be used to simulate the adsorption co on the pure platinum surface . according to the results , the adsorption co on pt ( 100 ) surface is more facile
用小的原子簇模型，结合高精度的理论计算可以对co吸附在pt ( 111 )和pt ( 100 )表面的反应过程进行描述； 2 |
| 7. | The following results have been concluded : ( a ) ab initio has its advantages in the calculating of atom cluster containing transition metal , especially in precision and total energy calculations
结果表明： ( 1 )从头计算方法在用于原子簇的计算中有其自身的优势，尤其是在精度和总能量计算方面。 |
| 8. | The proper atomic clustcr model is developed in the papel according to calculating results of quantuin chemiwt and the theory of sanderson electro - negativity the law of electron distribuing in brass material and the electto - negativity of brass - zinc are established
为进一步研究反应机理，本文采用适当的原子簇模型，通过量子化学计算及sanderson电负性分析对黄铜中的电子分布规律及铜锌电负性进行了探讨。 |
| 9. | In the second part of the dissertation , we have used the ab initio cluster model approach to study the adsorption of co on the pt - ru alloys surfaces . the calculated equilibrium geometries and vibrational frequencies have been found to be rather in agreement with experimental study
本文还用原子簇模型近似模拟了co在pt - rt二元合金表面的吸附，计算了它在平衡状态时的结构和振动光谱，发现它们与实验值极其一致。 |
| 10. | Adamas gemological laboratory in brookline , mass . , has developed a spectrophotometer that shines full - spectrum light through a stone and detects specific wavelengths that are absorbed by occasional nitrogen atom clusters , common in natural stones but not in synthetics
美国麻州的爱达玛斯宝石学实验室已研发出一台分光光度计，可发出全光谱的光，穿透宝石后，侦测被氮原子簇吸收的特定波长；氮原子在天然宝石中相当常见，却是合成宝石所没有的。 |
