molecular configuration

The calculated results by density-functional theory ( DFT) proved that different substituents influenced the thermodynamic energy, molecular configuration and MOs orbitals of univalent porphyrin zinc species and the stability changed consequently.

利用密度泛函理论的计算结果证明不同的取代基影响了正一价锌卟啉的热力学能、分子结构及分子轨道，其稳定性随之也发生了变化。

Effect of Molecular Configuration of EP Lubricant's Base oil on Boundary Lubrication

极压润滑剂基础油分子结构对边界润滑的影响

In the paper, the basic application of the hybrid orbital theory and the VSEPR in molecular configuration and a comparative study on them are reported.

介绍了杂化轨道理论和价层电子对互斥理论的基本要点和在分析分子的几何构型方面的应用，并对它们进行了比较研究。

A Study of the Effect of a Small-molecule Immunodepressant J2 Designed according to the CD_4 Molecular Configuration in the Inhibition of Allograft Rejection in Mice

基于CD4分子构型设计的小分子免疫抑制药J2抗移植排斥反应的作用研究

Coordinates Retransformation Technique for Studying the Molecular Configuration and Conformation

分子构型和构象研究中的坐标逆变换技术

In this paper, a new approach to judge molecular configuration of complex for transition elements by VSEPR theory is put forward on the basis of molecular orbit theory. Its application to octahedral field and tetrahedral field are introduced in detail.

在分子轨道理论的基础上，提出一种应用VSEPR理论判断过渡元素配合物分子构型的方法，并对其在八面体场、四面体场中的应用进行了详细的探讨。