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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T4Anti_Re_Down_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point TSRM062X--4622.89007700; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Syn_Si_Up_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.80592378; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Syn_Re_Down_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.26226208; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Anti_Re_Up_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.25959811; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I3_Re_Up_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.66516306; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Syn_Re_Up_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.26226208; 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
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Syn_Si_Down_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.24429473; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I3_Si_Up_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.66228572; Eh
Results 31-40 of 194 (Search time: 0.002 seconds).