<p>Hartree energies obtained from DFT calculations using B3LYP functionals with the LANL2DZ basis sets for reactants and products. The energy estimates were made without the presence of solvent (water).</p>
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Hartree energies obtained from DFT calculations using B3LYP functionals with the LANL2DZ basis sets for reactants and products. The energy estimates were made without the presence of solvent (water).
创建时间：
2026-01-22
