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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Jan-2023/L2_PARA S5_L2_PARA_HS_FREQVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2858.78932723; Eh
thumbnail.jpeg2-Jan-2023/L2_PARA S4_L2_PARA_LS_FREQVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2888.93572801; Eh
thumbnail.jpeg2-Jan-2023/L2_PARA S4_L2_PARA_HS_FREQVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2888.92966725; Eh
thumbnail.jpeg2-Jan-2023/L2_PARA S2_L2_PARA_HS_FREQVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2739.27682347; Eh
thumbnail.jpeg2-Jan-2023/L2_PARA S2_L2_PARA_LS_FREQVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2739.28480575; Eh
thumbnail.jpeg11-Sep-2020/Gaussian TS2Fvon Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Single point StructureRM06LDEF2TZVP/W06-
thumbnail.jpeg1-Jul-2022/Complexes 2d-3Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-31G** 6-31+G* GEN-1852.31765318; Eh
Login required31-Mar-2021/dnppe C-D-TS_(M06)_(open_shell_singlet)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.4994152; Eh
Login required31-Mar-2021/dnppe C-D-TS_(M06)_(triplet)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-4221.4975946; Eh
Login required31-Mar-2021/organics phenyl_radical_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUM066-311+G(D,P) GENECP-231.4355383; Eh
Results 271-280 of 7940 (Search time: 0.003 seconds).