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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Mar-2020/TPSS_BS1_optimized_structures ga_tpss_dmadprodG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRTPSSTPSS6-31G(D,P) SDDALL GEN-2967.34048006; Eh
thumbnail.jpeg22-Mar-2020/TPSS_BS1_optimized_structures tpss_pha_prod1G. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRTPSSTPSS6-31G(D,P) SDDALL GEN-2742.63122344; Eh
thumbnail.jpeg22-Mar-2020/TPSS_BS1_optimized_structures ga_tpss_dmadtsG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRTPSSTPSS6-31G(D,P) SDDALL GEN-2967.31784244; Eh
thumbnail.jpeg22-Mar-2020/TPSS_BS1_optimized_structures tpss_pha_ts1G. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRTPSSTPSS6-31G(D,P) SDDALL GEN-2742.60334201; Eh
thumbnail.jpeg22-Mar-2020/TPSS_BS1_optimized_structures ga_tpss_dmadG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRTPSSTPSS6-31G(D,P) GEN-533.158624583; Eh
thumbnail.jpeg22-Mar-2020/TPSS_BS1_optimized_structures tpss_clusterG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRTPSSTPSS6-31G(D,P) SDDALL GEN-2434.16292851; Eh
thumbnail.jpeg22-Mar-2020/TPSS_BS1_optimized_structures tpss_phaG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRTPSSTPSS6-31G(D,P) GEN-308.454759450; Eh
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