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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Syn_Si_Down_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.24226991; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Anti_Si_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.23990513; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I3_Si_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.65646272; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Syn_Re_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.24935864; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Syn_Si_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.23501686; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I6Syn_Si_Up_Trans_1VDW_complexFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2278.28707349; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I6Anti_Si_Up_Trans_1VDW_complexFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2278.29056926; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I3Syn_Si_Up_Trans_1VDW_complexFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2278.25264802; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I5Syn_Si_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2278.28019625; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I5Anti_Si_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2278.28655131; Eh
Results 31-40 of 194 (Search time: 0.001 seconds).