1.
First Principles Calculation of Helium in Titanium Crystals
He原子在金属Ti中的第一性原理计算
2.
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
3.
Frist-Principle Calculation and Ferroelectric Properties of PZT;
PZT第一性原理计算及其铁电性能研究
4.
First-Principles Investigation on the Structures and Properties of LiMnO_2 System;
LiMnO_2体系结构与性能的第一性原理研究
5.
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
6.
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
7.
The First-principle Calculation of Physical Properties under High Pressure;
高压下NaI物性的第一性原理计算
8.
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
9.
The First-Principles Study of Electronic Structure and Properties of ZnO;
ZnO电子结构与属性的第一性原理研究
10.
The First Principle Research of Properities of TiN and TiC;
TiN和TiC性质的第一性原理研究
11.
First-principles Study of SnO_2-based Ferromagnetic Semiconductors
SnO_2基铁磁性半导体的第一性原理研究
12.
Investigations on Magnetic Properties of Ni-doped SnO_2 by First-principles Calculations
Ni掺杂SnO_2磁性的第一性原理研究
13.
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
14.
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
15.
First-principle Study of Electronic and Optical Properties of Wurtzite Structure GaN
纤锌矿GaN光电性质的第一性原理研究
16.
First-Principles Studies on the Properties of Pt_6/BaO(100) Interface
Pt_6/BaO(100)界面性质的第一性原理研究
17.
Properties of some novel materials from first principles
新材料物性的第一性原理研究(英文)
18.
First-Principles Investigation of Electronic Structure of CrTe
第一性原理方法研究CrTe电子结构性质