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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 (3S,3aS)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1227.13243552; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I3_Si_Down_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4046.95382283; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T4Anti_Si_Down_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point TSRM062X--4622.88871741; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 (3R,3aR)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1227.13080652; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Anti_Re_Up_Trans_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.79566000; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I1_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4046.92361524; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I1_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4046.92917419; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T1_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--4046.91417336; Eh
thumbnail.jpeg7-Apr-2019/Common_species I0Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1767.84974492; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T1_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--4046.91867213; Eh
Results 31-40 of 194 (Search time: 0.002 seconds).