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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Mar-2020/TPSSh_BS1_optimized_structures ga_tpssh_dmadprodG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRTPSSh6-31G(D,P) SDDALL GEN-2967.12668213; Eh
thumbnail.jpeg22-Mar-2020/TPSSh_BS1_optimized_structures ga_tpssh_dmadtsaG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRTPSSh6-31G(D,P) SDDALL GEN-2967.09930923; Eh
thumbnail.jpeg22-Mar-2020/TPSSh_BS1_optimized_structures ga_tpssh_dmadG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRTPSSh6-31G(D,P) GEN-533.093529205; Eh
thumbnail.jpeg22-Mar-2020/TPSSh_BS1_optimized_structures tpssh_pha_prod1G. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRTPSSh6-31G(D,P) SDDALL GEN-2742.44963423; Eh
thumbnail.jpeg22-Mar-2020/TPSSh_BS1_optimized_structures tpssh_clusterG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRTPSSh6-31G(D,P) SDDALL GEN-2434.01233749; Eh
thumbnail.jpeg22-Mar-2020/TPSSh_BS1_optimized_structures tpssh_pha_ts1G. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRTPSSh6-31G(D,P) SDDALL GEN-2742.41669696; Eh
thumbnail.jpeg22-Mar-2020/TPSSh_BS1_optimized_structures tpssh_phaG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRTPSSh6-31G(D,P) GEN-308.422028987; Eh
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