frontier orbital theory

基本解釋

The active atoms and bonds of reaction were provided by frontier molecular orbital theory.
用前線分子軌道理論分析了反應(yīng)的活性原子和活性鍵。
Frontier molecular orbital theory is a molecular orbital theory, simple and effective, which has been developed in the recent years.
前線軌道理論是近年發(fā)展起來的一種簡化且有傚的分子軌道理論。
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蓡數(shù)。