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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2023/functional_selection/energy_calc s0_energy_m062x_3bMayer, PéterGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XGEN-1269.6694015; Eh
thumbnail.jpeg2-Oct-2023/functional_selection/energy_calc s0_energy_m062x_3jMayer, PéterGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XGEN-1462.3428165; Eh
thumbnail.jpeg2-Oct-2023/functional_selection/energy_calc s1_energy_m062x_3fMayer, PéterGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X; TD-FCGEN-1359.6632485; Eh
thumbnail.jpeg2-Oct-2023/functional_selection/energy_calc s0_energy_m062x_3aMayer, PéterGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XGEN-1155.1439916; Eh
thumbnail.jpeg2-Oct-2023/functional_selection/energy_calc s1_energy_m062x_3jMayer, PéterGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X; TD-FCGEN-1462.3428165; Eh
thumbnail.jpeg2-Oct-2023/functional_selection/energy_calc s0_energy_m062x_3fMayer, PéterGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XGEN-1359.6632485; Eh
thumbnail.jpeg2-Oct-2023/functional_selection/energy_calc s1_energy_m062x_3hMayer, PéterGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X; TD-FCGEN-1588.7175388; Eh
thumbnail.jpeg2-Oct-2023/functional_selection/energy_calc s1_energy_m062x_3bMayer, PéterGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X; TD-FCGEN-1269.6694015; Eh
thumbnail.jpeg2-Oct-2023/functional_selection/energy_calc s1_energy_m062x_3aMayer, PéterGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X; TD-FCGEN-1155.1439916; Eh
thumbnail.jpeg2-Oct-2023/functional_selection/energy_calc s0_energy_m062x_3hMayer, PéterGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XGEN-1588.7175388; Eh
Results 251-260 of 260 (Search time: 0.001 seconds).