The O-H bond dissociation enthalpies (BDE), ionization potentials (IP), proton dissociation enthalpies (PDE), proton affinities (PA), electron transfer enthalpies (ETE) in kJ/mol obtained at B3LYP/6-311++G** level of theory.
收藏Figshare2020-08-21 更新2026-04-28 收录
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https://figshare.com/articles/dataset/The_O-H_bond_dissociation_enthalpies_BDE_ionization_potentials_IP_proton_dissociation_enthalpies_PDE_proton_affinities_PA_electron_transfer_enthalpies_ETE_in_kJ_mol_obtained_at_B3LYP_6-311_G_level_of_theory_/12843648
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资源简介：
The O-H bond dissociation enthalpies (BDE), ionization potentials (IP), proton dissociation enthalpies (PDE), proton affinities (PA), electron transfer enthalpies (ETE) in kJ/mol obtained at B3LYP/6-311++G** level of theory.
创建时间：
2020-08-21
