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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 scisECrotonaldehyde_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--230.949969665; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 I3_Si_Up_Trans_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1282.12183137; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Anti_Si_Up_Trans_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1858.05564517; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Syn_Si_Up_Trans_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1858.04721738; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Syn_Si_Up_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--1858.07168128; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Anti_Si_Up_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point TSRM062X--1858.06339271; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T4Anti_Si_Up_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--4622.88540167; Eh
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
Results 21-30 of 194 (Search time: 0.002 seconds).