... The VSEPR Model价层电子对互斥理论 Molecular Geometries分子空间构型 Molecular Orbital分子轨道 ...
双语例句
1
We mainly study stable moleculargeometries and atomic charge distributing of 5-methoxy indole 5-methyl indole and 5-chlorin indole.
着重研究5 -甲氧基吲哚、5 -甲基吲哚和5 -氯吲哚的稳定几何构型和分子中各原子上的电荷分布。
2
Firstly, for each reaction system, all moleculargeometries were fully optimized on respective ground state and the lowest excited state PESs by high-level quantum chemistry calculation methods.
首先,采用高精度计算基组,对不同反应路径在不同自旋态势能面上的各驻点的几何构型进行了优化。
3
Allen and co-worker did ab initio calculation to test the adequacy of SCF MO calculations for predicting molecular equilibrium geometries.