1.
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)
2.
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
3.
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
4.
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。
5.
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
6.
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。
7.
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
8.
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
9.
Ab Initio Calculations of Elastic Constants and Phase Transition of ZnSe 和 ZnS;
ZnSe和ZnS弹性常数和相变的从头计算
10.
Ab initio Calculation on Propadiene Molecule;
丙二烯分子结构的量子化学从头计算
11.
Spin-Orbit Ab Initio Calculation of Photodissociation of Methyl Iodide
CH_3I分子的光解离的自旋—轨道从头计算
12.
Structure and Ab initio Calculation on AlI and AlI_2 Molecule
AlI,AlI_2分子的结构与从头计算
13.
the Calculation for Transverse Impact Problems with Elastic Impactor
弹性冲击头横向冲击问题的计算方法
14.
Junction Treatment in Computation of Short Backfire Antenna by Moment Method
短背射天线矩量法计算中的结头处理
15.
Real-time Pedestrians Counting Algorithm Using Single Camera
使用单目摄像头的实时行人计数算法
16.
Method of Calculating Three Cone Bit Diameter by Using Excel
用Excel实现三牙轮钻头直径计算的方法
17.
A hybrid algorithm for computing cannonball dispersion evenness
求解弹头散布均匀度的分布估计算法
18.
The asymmetric reduction mechanism of p-methylcyclohexanone by sodium borohydride was investigated with ab initio calculations.
用从头计算方法对硼氢化钠不对称还原对甲基环己酮的机理进行了研究。