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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_3 T4Anti_Si_Down_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point TSRM062X--4622.88871741; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T4Syn_Si_Down_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point TSRM062X--4622.88828927; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 T4Syn_Re_Down_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point TSRM062X--4622.89890072; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Anti_Si_Up_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point TSRM062X--1858.06339271; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Syn_Re_Down_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point TSRM062X--1858.06776467; Eh
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