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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Mar-2020/M06L_BS1_optimized_structures ga_m06l_dmadprodG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM06L6-31G(D,P) SDDALL GEN-2966.97467237; 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_prod1G. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM06L6-31G(D,P) SDDALL GEN-2742.30222424; 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
thumbnail.jpeg22-Mar-2020/M06L_BS1_optimized_structures m06l_clusterG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM06L6-31G(D,P) SDDALL GEN-2433.92229604; Eh
thumbnail.jpeg22-Mar-2020/M06L_BS1_optimized_structures ga_m06l_dmadG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM06L6-31G(D,P) GEN-533.024376520; Eh
thumbnail.jpeg22-Mar-2020/M06L_BS1_optimized_structures m06l_phaG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM06L6-31G(D,P) GEN-308.356877978; Eh
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