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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 stransECinnamaldehydeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--422.485822172; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T_scis_strans_CinnFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--422.470454513; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 2-ChloroTroponeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--804.581464676; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 scisECinnamaldehydeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--422.484068737; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I1_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.63104135; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I1_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.63619058; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T1_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1473.62172308; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T1_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1473.62566406; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I3_Si_Down_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.66762024; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Anti_Si_Down_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.25714422; Eh
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