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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI2_CisDD_to_TransDU_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1098.99226409; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 I3_Re_Down_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1282.12981795; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT1_CisDD_to_TransDU_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--3863.79832885; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT2_CisDD_to_TransDU_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1059.70562759; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Syn_Re_Down_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point TSRM062X--1858.06776467; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1519.15528205; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT3_CisDD_to_TransDU_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1519.15553030; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT1_CisDD_to_TransDU_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1519.15410574; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Anti_Re_Up_Trans_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1858.06666690; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 (3R,3aS)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--806.952499681; Eh
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