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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I2_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4046.95410005; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I1_Et3NHBF4_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2190.36122252; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Anti_Si_Down_Trans_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.79046062; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Syn_Si_Down_Trans_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.79095131; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Anti_Si_Up_Trans_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.79132280; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Syn_Si_Up_Trans_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.78365638; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Syn_Re_Up_Trans_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.79932668; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_3 I1_Trans_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--4046.92361524; Eh
thumbnail.jpeg7-Apr-2019/Common_species Et3NHBF4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--716.679500055; Eh
thumbnail.jpeg7-Apr-2019/Common_species T0Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--1767.83582849; Eh
Results 31-40 of 194 (Search time: 0.001 seconds).