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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Nov-2020TS4BEt2von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRM06LDEF2TZVP DEF2TZVP/W06-1710.19882199; Eh
thumbnail.jpeg19-Nov-2020TS4BBnvon Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRM06LDEF2TZVP DEF2TZVP/W06-1823.35744249; Eh
Login required15-Nov-2021TS2von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRM06LDEF2SVP DEF2SVP/W06-1558.33088118; Eh
Login required15-Nov-2021TS1von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRM06LDEF2SVP DEF2SVP/W06-1558.33475226; Eh
thumbnail.jpeg22-Mar-2020/M06L_BS1_optimized_structures ga_m06l_dmadtsarrG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM06L6-31G(D,P) SDDALL GEN-2966.95081031; Eh
thumbnail.jpeg22-Mar-2020/M06L_BS1_optimized_structures m06l_pha_ts1aG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM06L6-31G(D,P) SDDALL GEN-2742.27443030; Eh
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