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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT4_CisDD_to_TransDU_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1098.96879170; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Syn_Si_Down_Trans_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1858.05659239; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T4Syn_Si_Up_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--4622.90233118; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Anti_Si_Up_Trans_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1858.05564517; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T4Syn_Si_Down_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--4622.88830715; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Anti_Re_Down_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.80779613; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T3_Et3NHBF4_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2190.34714402; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Syn_Re_Down_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.81027401; 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_Si_Down_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.24037832; Eh
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