Some selected second order perturbation (E<sub>(2)</sub>) estimation of the hyperconjugative energies (kcal/mol) of A1, A2 and A3 which show the charge transfer from HOMO to the LUMO through the azomethine bridge.
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They were calculated using CAM-B3LYP/631G* level of theory.
创建时间：
2016-09-16
