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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 T4Syn_Re_Up_Trans_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1858.06585532; 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_4 (3S,3aS)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--806.951706825; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 I1_Et3NHBF4_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1998.82338932; 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 T2_Et3NHBF4_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1998.80332028; 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_4 I1_Trans_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1282.09376364; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 I1_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1282.09718875; Eh
Results 11-20 of 194 (Search time: 0.001 seconds).