1. Institute of Chemical Research of Catalonia

Browsing by Subject NHC catalysis

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Showing results 1 to 20 of 194  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 (3R,3aR)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1227.13080652; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 (3R,3aS)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1227.12691191; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 (3S,3aR)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1227.12691067; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 (3S,3aS)-FuranoneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1227.13243552; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 2-ChloroTroponeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--804.581464676; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I1_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.63619058; 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_1 I1_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.63104135; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I2_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.66082930; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I2_Et3NHBF4_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2190.36657465; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I2I_Et3NHBF4_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2190.36242457; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I3_Et3NHBF4_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2190.36713622; 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 I3_Re_Down_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.66018515; 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 I3_Re_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.66026869; 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 I3_Si_Down_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.65927505; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I3_Si_Up_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.66228572; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I3_Si_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.65646272; Eh
Showing results 1 to 20 of 194  next >