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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_exoBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-3131.61202681; Eh
thumbnail.jpeg23-Mar-2018L8b_S2_NH3_TS_exo_S_transBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3203.01254552; Eh
thumbnail.jpeg23-Mar-2018L8b_S2_NH3_TS_endo_transBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3203.00943820; Eh
thumbnail.jpeg23-Mar-2018L8b_S2_NH3_TS_exo_transBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3203.01826186; Eh
thumbnail.jpeg23-Mar-2018L8b_S2_NH3_TS_endoBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-3203.01103320; Eh
thumbnail.jpeg23-Mar-2018L8b_S2_NH3_TS_endo_S_transBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3203.01728000; Eh
thumbnail.jpeg23-Mar-2018L8b_S2_NH3_TS_endo_SBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-3203.01914703; Eh
thumbnail.jpeg23-Mar-2018L8b_S2_NH3_TS_exo_SBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-3203.02007890; Eh
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