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Some selected second order perturbation (E(2)) 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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Figshare2016-09-16 更新2026-04-29 收录
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They were calculated using CAM-B3LYP/631G* level of theory.

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2016-09-16
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