frontier molecular orbital

常見例句

The result is explained qualitatively with the theory of frontier molecular orbital.
根據(jù)前線分子軌道理論，對實驗結(jié)果提出了定性的解釋。
Between electron density distribution of molecular frontier orbital energy and the substitute position, there were some dependencies.
發(fā)現(xiàn)前線軌道能量與分子的電子密度分布及取代位置均有一定依賴關(guān)系。
We have accurately determined the coupling constant between the molecule and electrodes by using the frontier molecular orbital theory and the perturbation method.
利用分子前線軌道理論和微擾方法定量地確定了分子與金屬的相互作用能參數(shù)。