还计算了电荷转移、成键情况和状态密度。

The charge transfer, the bond strengths and the density of states are also considered.

youdao

同时对上述结果从化学键、电荷密度、反应机理等方面进行了合理的解释。

The results were explained by chemical bond, charge density and reaction mechanism.

youdao

以优化构型为基础计算其电荷密度、自旋密度、键序和电子光谱。

On the basis of optimized geometries, the charge densities, spin density, bond orders and electronic spectra of above molecule and cation have been calculated.

youdao

So there's electron density above the bond and below the bond.

所以在键轴上面和下面都有电荷密度。

麻省理工公开课 - 化学原理课程节选