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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Mar-2018L8b_S2_NH3_TS_exoBiosca, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31G*; lanl2dz-3203.01399456; Eh
thumbnail.jpeg23-Mar-2018L5b_S1_DMM_TS_endo_S_transBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3758.95332950; 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_TS_endoBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3758.95479803; Eh
thumbnail.jpeg23-Mar-2018L5b_S1_DMM_TS_endo_SBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31g*; lanl2dz-3758.96877314; Eh
thumbnail.jpeg23-Mar-2018L5b_S1_DMM_TS_exo_SBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3758.96341677; Eh
thumbnail.jpeg23-Mar-2018L5b_S1_DMM_TS_exoBiosca, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*; lanl2dz-3758.95893085; Eh
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