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).
收藏Figshare2026-01-22 更新2026-04-28 收录
下载链接：
https://figshare.com/articles/dataset/_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_/31127983
下载链接
链接失效反馈官方服务：
资源简介：
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
