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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 scisEBromoCinnamaldehydeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2995.77566065; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 (3S,3aR)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1227.12691067; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 (3R,3aR)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1227.13080652; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 2-PhenylTroponeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--575.932614077; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I2_Et3NHBF4_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2190.36657465; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I1_Et3NHBF4_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2190.36122252; Eh
thumbnail.jpeg7-Apr-2019/Common_species Et3NHBF4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--716.679500055; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I3_Si_Down_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.65927505; Eh
Results 41-50 of 95 (Search time: 0.001 seconds).