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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Feb-2018DFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--898.073679102; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI2_CisDD_to_TransDU_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1098.99226409; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT3_CisDD_to_TransDU_2Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1059.70635872; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 I3_Re_Down_Cis_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1282.12981795; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT4_CisDD_to_TransDU_3Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--3863.79683004; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI2_CisDD_to_TransDU_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1519.17352128; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1519.15528205; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT3_CisDD_to_TransDU_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1519.15553030; Eh
thumbnail.jpeg7-Apr-2019/Epimerization_of_the_3R_S_center EpiT1_CisDD_to_TransDU_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--1519.15410574; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_4 I3_Re_Up_Trans_4Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1282.12376233; Eh
Results 11-20 of 205 (Search time: 0.001 seconds).