1.
Surface reconstructions of diamond(111) studied by first principles molecular dynamics
第一原理分子动力学研究超纳米金刚石(111)面的表面重构
2.
First-Principles Study on Surface Kinetics and Metallic Quantum Well Systems;
表面动力学和金属量子阱系统的第一性原理研究
3.
A First-Principle Study on Size-Dependent Thermodynamic Properties of Small TiO_2 Nanoclusters
以第一原理研究二氧化钛纳米粒子热动力学性质(英文)
4.
ELECTRONIC STRUCTURE AND ELASTIC CONSTANTS OF ANATASE-TiO_2 BY FIRST PRINCIPLES CACULATION
第一性原理计算锐钛矿型TiO_2电子结构及力学性能分析
5.
First-principles Calculations of Electronic Structure and Mechanical Property of TiN;
TiN材料电子结构和力学性能的第一原理计算
6.
The electronic structure and mechanical property of alpha Al_2O_3 by first principles calculation
第一性原理计算α-Al_2O_3电子结构及力学性能
7.
Lattice Dynamics and First Principle Study of Graphene Nanoribbons
石墨带的晶格动力学和第一性原理研究
8.
First-principles studies of the phase transition and thermodynamic properties of AlAs
AlAs相变及热动力学性质的第一性原理研究
9.
Planck s Trouble and the First Crisis of Mathematics--Along with the proposition that identity principle is the first principle of quantum mechanics;
普朗克的量子化烦恼与数学上的第一次危机——兼论全同性原理是量子力学第一原理
10.
The Thermodynamics and the Firsts Principle Calculations for the Process of LaNi_5 s Storage Hydrogen;
LaNi_5贮氢过程的热力学分析及其第一性原理计算
11.
First-Principle Study of Optical and Electronic Properties of SnO_2
第一性原理计算分析SnO_2电子结构和光学性质
12.
Semiclassical Theory of Atomic and Molecular Dynamics in Strong External Fields;
强外场中原子、分子动力学的半经典理论研究
13.
Deriving Variational Principles in Elasto-dynamics by Undetermined Lagrange Multiplier Method;
应用Lagrange乘子法推导弹性动力学的变分原理
14.
First-Principle Calculation on the Electronic and Optical Properties of ZnO under the Loading
应力作用下ZnO电子结构和光学性质的第一性原理研究
15.
The Quantum Dynamics Calculation of Atom-Polyatomic Reaction Systems;
单原子—多原子分子反应体系的量子动力学计算
16.
Ab Initio Thermodynamic Method for Metal/Ceramic Interfaces
金属/陶瓷界面的第一原理热力学研究
17.
First Principle Studies on the Electronic Structure and Magnetic Properties of the Molecule Magnets;
分子磁性材料物性的第一性原理研究
18.
First Principles Investigations of the Transport Properties of XC_6H_4X Molecular
XC_6H_4X分子输运性质的第一性原理研究