1.
Ab Initio Investigation of the Reaction Mechanism for Interstellar Small Species;
从头算法研究C_2（～1∑_g～+，～3∏_u）与H_2O，H_2S的反应机理
2.
Ab initio Study on the Magnetism in Transition Metal (TM) Co-doped ZnO-Based Diluted Magnetic Semiconductors
基于从头算法的TM金属共掺杂的ZnO基稀磁半导体的磁性研究(英文)
3.
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)
4.
QSAR Study of Thiophenyl-carboxylates Derivatives;
含硫芳香羧酸酯衍生物QSAR的从头算方法研究
5.
He plans to do it over again.
他打算从头再做一遍。
6.
Comparison of charge distribution of polyethylene by Qeq and ab.initio methods
Qeq方法和从头计算法对比研究聚乙烯链的电荷分布问题
7.
Abstract: The method for calculating the optimum detectability ofultrasonic focussing probe is discussed theoretically.
文摘:从理论上推导了聚焦探头对缺陷最佳检测能力的计算方法。
8.
The Study of the Reaction Mechanism of Bromination of Aqueous Acetone Solution(Ⅰ)--ab initio Calculation for the Reactive Intermediate of the Reaction
丙酮溴化反应机理的研究(Ⅰ) 从头计算法研究反应中间体
9.
Corrlation of Quantitative Structure and Inhibition Phytotoxicity for Aromatic Compounds Using Ab Initio;
用从头算方法研究部分芳香族化合物的结构与抑制毒性关系
10.
Ab initio simulation on thermodynamic equation of state of fcc aluminum under high temperature and pressure
从头算方法研究面心立方铝在高温高压下的热力学状态方程
11.
Allen and co-worker did ab initio calculation to test the adequacy of SCF MO calculations for predicting molecular equilibrium geometries.
爱伦及其同事应用从头计算法来考查SCF MO计算对于预示分子平衡几何形的适宜性。
12.
Did he deliberately set out to be a tyrant ?
他从头就打算当暴君的吗？
13.
Within an hour or two from this."
从现在算起一两个钟头之后。”
14.
The piezpmetric head is also measured from the same datum level.
测压水头亦应从同一基准面算起。
15.
Ab initio Molecular Dynamics Simulations of High-Density Hydrogen
高密度氢的从头计算分子动力学模拟
16.
The CASSCF Study of Trans-formanilide and Trans-formanilide.Ar;
trans-formanilide及其范德华体系的CASSCF从头算研究
17.
Ab Initio Calculations of Elastic Constants and Phase Transition of BeTe and BeSe;
BeTe和BeSe弹性常数和相变的从头计算
18.
The Studies of Vibiational Spectrum of Molecule CH_2, H_2S and HCN;
CH_2，H_2S，HCN分子振动光谱的从头算研究