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.
收藏Figshare2016-09-16 更新2026-04-29 收录
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https://figshare.com/articles/dataset/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_/3837486
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资源简介：
They were calculated using CAM-B3LYP/631G* level of theory.
创建时间：
2016-09-16
