The calculated results were discussed relating to experiments and organic electronic structure theory.
联系实验事实和有机电子结构理论对计算结果进行了讨论。
The CDG is a small group of UK academics working in the field of density functional theory and electronic structure calculations.
CDG是在密度的地里工作的英国学者的一个小组功能的理论和电子结构计算。
With theory of beam, this paper has analyzed the weighing principle and the structure of current electronic belt weighing conveyor, and pointed out the advantage and disadvantage.
应用梁的理论，对电子皮带秤的各种秤架结构进行了静力分析，指出了各种秤架结构的优点和不足。
The valence electron structure parameters of low alloy heat-resistant steel in common use were analyzed on the basis of the empirical electronic theory (EET) of solids and molecules.
利用固体与分子经验电子理论对常用低合金耐热钢的价电子结构进行了计算。
The electronic structure of quasi one dimensional disordered system is studied by the computation of the density of electronic states with the help of the negative eigenvalue theory.
利用负本征值理论的态密度计算方法，研究了准一维双链无序系统的电子结构。
Based on the negative eigenvalue theory we discuss the non-diagonal disorder and dimensional effects for the electronic structure in low-dimensional disordered systems.
运用负本征值理论，探讨了非对角无序、维数效应对低维无序系统电子结构的影响，研究表明，非对角无序和维数效应对低维无序系统电子结构的影响很大。
Density functional theory calculations were carried out to examine the structure and normal mode frequencies of the ground state of the complex and its electronic transition energies.
用密度泛函方法计算了复合物的基态结构、振动频率和电子跃迁能。
Based on the Theory of Microscopic Non-uniformity, the calculation model of electron structures of G3 alloy and the electronic structure model of H-alloy systems are established in this essay.
在微观不均匀性理论基础上，建立了G 3合金价电子结构的计算模型、氢-合金系统价电子结构模型。
The theory and structure of the opt-electronic pressure measuring and transferring system are introduced, which has been used in measuring static pressure of the rotating centrifugal fan successfully.
通过对旋转风机叶片表面压力信号测量的应用，介绍了风机实验台的信号光电转换系统的结构及原理；
The theory and structure of the opt-electronic pressure measuring and transferring system are introduced, which has been used in measuring static pressure of the rotating centrifugal fan successfully.
通过对旋转风机叶片表面压力信号测量的应用，介绍了风机实验台的信号光电转换系统的结构及原理；
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