1.
Global Geometry Optimization of Water Clusters Using a Single-parent Genetic Algorithm;
单母体遗传算法优化水分子团簇结构
2.
The Application of Tersoff Potential to Geometry Optimization of Small Molecular Clusters
Tersoff势在小分子团簇几何优化中的应用
3.
The Theoretical Study on CH_3OH(H_2O)n by AB INITIO Method;
应用AB INITIO方法对甲醇和水分子团簇的理论研究
4.
Application of ABEEM/MM Model to Study the Way of Small Water Clusters Growth;
应用ABEEM/MM模型研究小型水分子团簇的增长方式
5.
On the Structures and Potential Energy Functions of Cu_2,Au_2 and CuAu;
Cu_2、Au_2和CuAu小团簇分子结构与势能函数
6.
Organic Compound and Ammonia Clusters Study Tempo;
有机分子和NH_3团簇的研究进展
7.
Melting Behavior of (AgI)_n Clusters by Molecular Dynamics Simulation
(AgI)_n团簇熔化行为的分子动力学模拟
8.
Molecular dynamics simulation of the melting points of Au Nana-clusters
Au纳米团簇熔点的分子动力学模拟
9.
Studies on Spectroscopy Characteristic of Ethanol-Water Clusters and Its' Structure Inversion;
乙醇—水团簇分子的光谱学特征及分子结构研究
10.
Theoretical Studies on the Au Clusters, Au Nanotubes and Calixarene Molecular Crystal;
金团簇，纳米管与杯芳烃分子晶体的理论研究
11.
The Research for Geometry、Potential Function of Pd、Y and H Micro-clusters;
钯、钇、氢体系的团簇结构和分子势能函数
12.
The Preparation of Mesoporous Molecular Sieves and Assembling ZnO Nanoclusters;
介孔分子筛的制备及纳米ZnO团簇的组装
13.
Molecular Dynamics Simulations of Phase Transition and Nucleation of KBr Clusters;
溴化钾团簇的相变和成核的分子动力学模拟
14.
Theoretical Study of Polarizability and Hyperpolarizability of Molecule and Cluster;
分子和团簇的极化率及高阶极化率的理论研究
15.
Molecular-Dynamics Simulation Study on the Rearrangement Collisions Processes between Metal Clusters;
金属团簇碰撞重组过程的分子动力学模拟研究
16.
Molecular Dynamics Simulation of Microstructure and Deposition of Clusters of Carbon Nitride;
氮化碳微观结构及团簇沉积的分子动力学模拟
17.
Molecular-Dynamics Study on the Melting Behaviors of Co, Ni and Pd Clusters;
Co，Ni及Pd团簇熔化行为的分子动力学研究
18.
Study of Melting Properties of Iridium Clusters Using Molecular Dynamics with Different Potentials;
分子动力学结合不同势研究Ir团簇熔化性质