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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T_scis_strans_CinnFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--422.470454513; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T1_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1473.62172308; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T1_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1473.62566406; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Anti_Si_Down_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.25714422; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Anti_Re_Down_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.25962357; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Syn_Re_Down_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.26226208; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Anti_Re_Up_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.25959811; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Syn_Re_Up_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.26226208; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Anti_Re_Down_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.24203280; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Anti_Re_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.24764696; Eh
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