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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT2_CisDD_to_TransDU_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1059.70562759; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT3_CisDD_to_TransDU_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1098.97179735; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 T4Syn_Re_Down_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point TSRM062X--1858.06776467; Eh
thumbnail.jpeg3-Oct-2019ircfor_DMF_sp2_ts_pdpme32_c_transnoulliu_calcallBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point Structure-6-31+G(D,P) SDD-3853.28915783; Eh
thumbnail.jpeg3-Oct-2019ircfor_DMF_sp2_ts_pdpme32_c_transnoulliu_calcall_cBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point Structure-6-31+G(D,P) SDD-3853.32222098; 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 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 EpiI2_CisDD_to_TransDU_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1059.72219050; 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
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