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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Mar-2018L5c_S1_DMM_TS_exo_S_transBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3758.95952759; Eh
thumbnail.jpeg23-Mar-2018L5c_S1_DMM_TS_endo_SBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3758.96202316; 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_endo_SBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-3131.62211282; 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-2018L5b_S1_DMM_olefin_exo_SBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*; lanl2dz-3758.99541755; Eh
thumbnail.jpeg23-Mar-2018L5b_S1_DMM_TS_endo_transBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3758.94131128; Eh
thumbnail.jpeg23-Mar-2018L5b_S1_DMM_olefin_exoBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*; lanl2dz-3758.99426844; Eh
thumbnail.jpeg23-Mar-2018L5c_S1_allyl_endo_SBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*; lanl2dz-3263.20247352; Eh
thumbnail.jpeg23-Mar-2018L5b_S1_allyl_exo_SBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*; lanl2dz-3263.20573294; Eh
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