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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_3 T1_Cis_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--4046.91867213; 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/Common_species Carbene_Et3NHBF4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1767.83862757; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Anti_Re_Down_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.80779613; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T3_Et3NHBF4_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2190.34714402; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 T4Syn_Re_Down_Cis_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1818.81027401; Eh
thumbnail.jpeg7-Apr-2019/Common_species NHC_carbeneFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1051.13539512; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_2 TroponeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--345.134509920; Eh
Results 181-190 of 194 (Search time: 0.003 seconds).