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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Anti_Si_Up_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--1818.79571578; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T4Syn_Re_Up_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--4622.89592760; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T2_Et3NHBF4_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--2190.34220850; Eh
thumbnail.jpeg7-Apr-2019/Common_species T0Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--1767.83582849; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Syn_Re_Down_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--2278.23161868; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Syn_Si_Up_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--1858.07168128; Eh
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 T4Anti_Re_Up_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--1818.80801583; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T5Anti_Si_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--2278.26016321; Eh
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