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.
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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



