1.
An Ab Initio Pseudopotential Study of Polonium Clusters Cu_nPo_m(n,m=1,2)
钋化物团簇Cu_nPo_m(n,m=1,2)赝势从头算研究
2.
Ultra-soft Pseudopotentials Study of the Electronic Density of State of V-ions Implantation on TiO2 Films
超软赝势方法对V/TiO_2薄膜电子态密度的计算
3.
Ab initio Potential Energy Surface and Microwave Spectra of Ne-CO_2
Ne-CO_2的从头算势能面及微波光谱
4.
The ab Initio Calculation Method to Study Electrostatic Potentials of the Reactive Intermediate
从头计算法研究反应中间体的静电势(英文)
5.
We adopted the pseudopotential method and the first principle to calculate the alloy disorder effect of the atoms surrounding the impurity atoms.
采用第一原理赝势法计算，分析和讨论了混晶无序效应对电子热俘获势垒精细结构的影响。
6.
Ab Initio Potential Curves and Spectral Properties of Lu_2 and B_2～(++);
Lu_2和B_2～（++）分子的势能函数和光谱性质的从头计算研究
7.
Comparative Investigation of the Molecular Electrostatic Potential of C_(70 ) with Density Function Theory and HF Ab initio Methods;
密度泛函理论和从头算比较研究C_(70)分子的静电势
8.
The Photodissociation Mechanisms of Acrylonitrile: Ab Initio Calculations on Reaction Channels and Surface Intersections
丙烯腈的光解离机制：反应路径和势能面交叉的从头计算
9.
He never bows down to power.
他从不向权势低头。
10.
Study on Vacancy Znic Oxide with the First Principle Plane-wave Pseudopotential
空位氧化锌第一性原理平面波赝势方法研究
11.
Quesne ring-shaped spherical harmonic oscillator potential and pseudospin symmetry
Quesne环状球谐振子势场中的赝自旋对称性
12.
Quesne-like ring-shaped spherical harmonic oscillator potential and pseudospin symmetry
类Quesne环状球谐振子势场中的赝自旋对称性
13.
A relativistic non-harmonic oscillator potential and pseudospin symmetry
相对论性非球谐振子势场中的赝自旋对称性
14.
He plans to do it over again.
他打算从头再做一遍。
15.
Reaction Mechanism of Bromation of Aqueous Acetone Solution(Ⅱ) ab initio Calculation for Rotational Barrier of Reactive Intermediate
丙酮溴化反应机理的研究(Ⅱ) 从头计算法研究反应中间体的旋转势垒
16.
Ab Initio Intermolecular Potential of Hydrogen Sulfide and the Properties of Liquid and Solid: A Monte Carlo Study
硫化氢的从头算分子间相互作用势及其液态和固态性质的蒙特卡罗研究
17.
The perceptions of the competition trend in the space oligopoly market from M&A;
从企业并购观航天寡头市场竞争态势
18.
Study on the Structure and Chracteritics of Uranium and Uranium Dioxide by Pseudopotential Plane Wave Method;
金属铀、UO_2晶体结构和特性的赝势平面波方法研究