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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 stransECinnamaldehydeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--422.485822172; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T_scis_strans_CinnFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--422.470454513; 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 scisECinnamaldehydeFianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--422.484068737; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T1_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1473.62566406; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI2_CisDD_to_TransDU_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--3863.81826777; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1059.70599279; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1098.96905642; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--3863.80035017; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT4_CisDD_to_TransDU_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1519.15190769; Eh
Results 41-50 of 194 (Search time: 0.002 seconds).