1.
First-principles Calculation on the Dielectric Properties of Si_3N_4 and BN;
Si_3N_4和BN介电性质的第一原理计算
2.
FIRST-PRINCIPLE CALCULATION OF TiH_2 ELECTRONIC STRUCTURE AND CONDUCTIVITY
TiH_2电子结构和导电性的第一原理计算
3.
Density Functional Theory Calculations of Hydroxyapatite Biological Materials
羟基磷灰石生物材料的第一原理计算
4.
First principle calculation of Al,Li and intermetallic compounds for Al-Li system
Al-Li系统性质的第一原理计算(英文)
5.
Study on Point Defective Structures of B32-LiAl Intermetallic Compound by First-principles Methods
B32-LiAl点缺陷结构的第一原理计算
6.
Basing on Ab Initio Calculation Results to Improve the Potential Calculation of Ti-Si-N;
基于第一原理计算结果改进Ti-Si-N原子间作用势的计算
7.
First Principles Calculation of Helium in Titanium Crystals
He原子在金属Ti中的第一性原理计算
8.
Computer Simulation of Material Computation on ZnO Based on the First Principle;
基于第一性原理的ZnO材料的计算机模拟计算
9.
Frist-Principle Calculation and Ferroelectric Properties of PZT;
PZT第一性原理计算及其铁电性能研究
10.
First-Principles Calculations for Properties of ZrB_2 Compound under High Pressure;
高压下ZrB_2物性的第一性原理计算
11.
First-Principles Calculations for Physics Properties of Pu、NaCl and SrO;
Pu、NaCl和SrO的物性的第一性原理计算
12.
The First-principle Calculation of Physical Properties under High Pressure;
高压下NaI物性的第一性原理计算
13.
First-Principles Calculations for Properties of AlB_2 Compound under High Pressure;
高压下AlB_2物性的第一性原理计算
14.
The First-principles of AlN Based Diluted Magnetic Semiconductors;
AlN基稀磁半导体的第一性原理计算
15.
First-principles Calculation on the Doped Rutile TiO_2
掺杂金红石相TiO_2的第一性原理计算
16.
First-Principles Calculations for Properties of ReB_2 Compound under High Pressure
高压下ReB_2物性的第一性原理计算
17.
First-principle study of Al,Ag codoped p-type ZnO
Ag-Al共掺ZnO的第一性原理计算
18.
Computer simulation of nanosized materials from first-principles
纳米材料第一性原理的模拟计算研究