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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/Catalytic_cycle_4 I3_Re_Up_Trans_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1282.12376233; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 (3R,3aS)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--806.952499681; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 (3S,3aR)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--806.952499686; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 (3R,3aR)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--806.951706825; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 (3R,3aS)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--3571.77240700; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 (3S,3aR)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--3571.77240703; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 (3R,3aR)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--3571.77938924; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 (3S,3aS)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--3571.77937200; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 stransECrotonaldehydeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--230.951968621; Eh
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