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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 (3S,3aS)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--806.951706825; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 I2I_Et3NHBF4_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1998.82340986; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 I2_Et3NHBF4_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1998.82347215; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 I3_Si_Down_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1282.13027703; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 I3_Et3NHBF4_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1998.83108301; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 I2_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1282.11939917; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I1_Et3NHBF4_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4763.65482005; 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_2 (3S,3aR)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--767.682290002; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I3_Et3NHBF4_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4763.66090623; Eh
Results 31-40 of 95 (Search time: 0.002 seconds).