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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Insertion/TS3 TS3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3168.06158164; Eh
thumbnail.jpeg17-Oct-2016/Cyclic_Carbonate/TS_CC TS_CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1689.36701892; Eh
thumbnail.jpeg17-Oct-2016/Initiation_Insertion/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1500.82494677; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/TS_p TS_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3477.79884247; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Insertion/TS3/FAIL FAILGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3168.06358902; Eh
thumbnail.jpeg17-Oct-2016/Bimetallic/O_Al/TS_p TS_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3178.70491373; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Poly/Dec_TS Dec_TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3481.39302030; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Insertion/TS3 TS3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3171.63174610; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Insertion/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2872.53477824; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Poly/Dec_TS Dec_TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3182.28958988; Eh
Results 21-30 of 226 (Search time: 0.001 seconds).