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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T2_Et3NHBF4_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--4763.63566518; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T4Syn_Si_Down_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point TSRM062X--4622.88828927; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 (3R,3aS)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--767.682290147; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I3_Re_Down_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4046.95336487; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I2_Et3NHBF4_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4763.65979202; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I3_Et3NHBF4_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4763.66090623; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 stransEBromoCinnamaldehydeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2995.77735579; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I3_Re_Up_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4046.95481147; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I3_Re_Up_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4046.96020655; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 scisEBromoCinnamaldehydeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2995.77566065; Eh
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