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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019TS4_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6138424; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I3_Si_Up_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4046.95565851; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T4Syn_Si_Up_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--4622.87805495; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Anti_Si_Up_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--1818.79571578; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I2I_Et3NHBF4_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4763.65545429; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 (3S,3aS)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1227.13243552; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I2_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4046.95410005; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I3_Si_Down_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4046.95382283; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T_scis_strans_BromoCinnFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2995.76228275; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T4Anti_Re_Up_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--4622.89690044; Eh
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