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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Mar-2020/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_pha_ts1rG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRPBE1PBE6-31G(D,P) SDDALL GEN-2740.58616168; Eh
thumbnail.jpeg22-Mar-2020/PBE1PBE-D3(BJ)_BS1_optimized_structures d3bjfp_pha_ts1G. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRPBE1PBE6-31G(D,P) SDDALL GEN-2740.64567556; Eh
thumbnail.jpeg22-Mar-2020/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_clusterfG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBE1PBE6-31G(D,P) SDDALL GEN-2432.55887222; Eh
thumbnail.jpeg22-Mar-2020/PBE1PBE-D3(BJ)_BS1_optimized_structures ga_p0_dmadG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRPBE1PBE6-31G(D,P) GEN-532.495048833; Eh
thumbnail.jpeg22-Mar-2020/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_phaG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBE1PBE6-31G(D,P) GEN-308.026361387; Eh
thumbnail.jpeg22-Mar-2020/PBE1PBE-D3(0)_BS1_optimized_structures d3p0_cf3pha_tsaG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRPBE1PBE6-31G(D,P) SDDALL GEN-3005.82816165; Eh
thumbnail.jpeg22-Mar-2020/PBE1PBE-D3(0)_BS1_optimized_structures d3p0_fpha_tsaG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRPBE1PBE6-31G(D,P) SDDALL GEN-2431.51079536; Eh
thumbnail.jpeg22-Mar-2020/PBE1PBE-D3(0)_BS1_optimized_structures d3p0_cf3phaG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBE1PBE6-31G(D,P) GEN-981.479314257; Eh
thumbnail.jpeg22-Mar-2020/PBE1PBE-D3(0)_BS1_optimized_structures d3p0_fphaG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBE1PBE6-31G(D,P) GEN-407.171118880; Eh
Results 121-129 of 129 (Search time: 0.022 seconds).