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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2023/geo_opt 3i_prep_s0Mayer, PéterGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D,P)-1875.60924117; Eh
thumbnail.jpeg2-Oct-2023/geo_opt 3b_prep_s0Mayer, PéterGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D,P)-1269.52351417; Eh
thumbnail.jpeg2-Oct-2023/geo_opt 3j_prep_s0Mayer, PéterGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D,P)-1462.17367844; Eh
thumbnail.jpeg2-Oct-2023/geo_opt 3a_prep_s0Mayer, PéterGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D,P)-1155.01200112; Eh
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 geo_opt_m062x_3bMayer, PéterGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D,P)-1269.52351417; Eh
thumbnail.jpeg2-Oct-2023/geo_opt 3l_prep_s0Mayer, PéterGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D,P)-1666.66370097; Eh
thumbnail.jpeg2-Oct-2023/geo_opt 3f_prep_s0Mayer, PéterGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-311+G(D,P)-1359.50394928; 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
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