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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Feb-2016Int3a2-cis-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2652.81109553; Eh
thumbnail.jpeg29-Feb-2016TS4a-cis-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2652.79160072; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Scan_H/TS_FAIL TS_FAILGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--783.832304928; Eh
thumbnail.jpeg31-Jul-2015/CCSD_T/Butylamine/Water_Catalyzed/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRCCSD--744.094646879; Eh
thumbnail.jpeg25-Nov-2016/Gamma_butirolactone/Solvated_Single_points ReactantsBandeira, NunoGaussian; 09; EM64L-G09RevD.01Single point StructureRM06--
thumbnail.jpeg19-Sep-2016/Nb6 DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1772.25485423; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/RO/IC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2496.35317509; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Insertion/TS3/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2696.49492792; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Insertion/Int2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2696.50429452; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/RO/Int1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2979.57991846; Eh
Results 21-30 of 714 (Search time: 0.003 seconds).