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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 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 I1_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.63619058; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T1_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1473.62172308; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT2_CisDD_to_TransDU_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1098.97091643; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1098.97159709; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1519.15691124; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--3863.80197292; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1059.70494067; Eh
Results 181-190 of 216 (Search time: 0.002 seconds).