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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Anti_Si_Down_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--1818.80732693; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Syn_Si_Down_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.80590724; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Anti_Re_Up_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--1818.80801583; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Syn_Re_Up_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.81027401; 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 T4Anti_Re_Down_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.25962357; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I3_Re_Down_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.66489507; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I1_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.63104135; Eh
Results 151-160 of 194 (Search time: 0.002 seconds).