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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Mar-2018L5c_S1_DMM_TS_endoBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3758.95966905; Eh
thumbnail.jpeg23-Mar-2018L5c_S1_DMM_TS_exo_SBiosca, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--
thumbnail.jpeg23-Mar-2018L5c_S1_DMM_TS_exoBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3758.96184958; Eh
thumbnail.jpeg23-Mar-20182_6-diisopropylphenylthioether_S2_NH3_TS_endo_SBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-3131.62211282; Eh
thumbnail.jpeg23-Mar-20182_6-diisopropylphenylthioether_S2_NH3_TS_exo_S_transSBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3131.61990793; Eh
thumbnail.jpeg23-Mar-20182_6-diisopropylphenylthioether_S2_NH3_TS_endo_S_transBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3131.62015342; Eh
thumbnail.jpeg23-Mar-20182_6-diisopropylphenylthioether_S2_NH3_TS_endo_transBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3131.60614250; Eh
thumbnail.jpeg23-Mar-20182_6-diisopropylphenylthioether_S2_NH3_TS_exo_transSBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3131.60992830; Eh
thumbnail.jpeg23-Mar-20182_6-diisopropylphenylthioether_S2_NH3_TS_exo_SBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-3131.62136134; Eh
thumbnail.jpeg23-Mar-20182,6-diisopropylphenylthioether_S2_NH3_TS_endoBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-3131.60902533; Eh
Results 31-40 of 71 (Search time: 0.001 seconds).