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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Mar-2018L5b_S2_NH3_TS_endo_S_transBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-2974.37653251; Eh
thumbnail.jpeg23-Mar-2018L5b_S2_NH3_TS_exo_S_transBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-2974.37737255; Eh
thumbnail.jpeg23-Mar-2018L5b_S2_NH3_TS_exo_transBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-2974.37229749; Eh
thumbnail.jpeg23-Mar-2018L5b_S2_NH3_TS_endo_SBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-2974.37820616; Eh
thumbnail.jpeg23-Mar-2018L5b_S2_NH3_TS_exo_SBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-2974.37890471; Eh
thumbnail.jpeg23-Mar-2018L5b_S2_NH3_TS_endoBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-2974.37093754; Eh
thumbnail.jpeg23-Mar-2018L5b_S2_NH3_TS_endo_transBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-2974.36953143; Eh
thumbnail.jpeg23-Mar-2018L5b_S2_NH3_TS_exoBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-2974.37408146; Eh
thumbnail.jpeg23-Mar-2018L5c_S1_DMM_TS_endo_S_transBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3758.96401182; Eh
thumbnail.jpeg23-Mar-2018L5c_S1_DMM_TS_exo_S_transBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3758.95952759; Eh
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