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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Bimetallic/Insertion_2CO2/polycho/ts_isom/6_31G/prova3 prova3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-31G*-2187.11742392; Eh
thumbnail.jpeg17-Oct-2016/Bimetallic/Carbonyl/TS_p TS_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3178.70363461; Eh
thumbnail.jpeg17-Oct-2016/Cyclic_Carbonate/TS_CC/CO2_CHO_Copolymerization/TS_CC/SOLV/Int1/CC/Initiation_Insertion/Cyclic_Carbonate/CC/IC/CO2_CHO_Copolymerization/Cyclic_CarbonateGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1500.82494677; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/Dec_TS Dec_TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3477.82188754; Eh
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
Results 11-20 of 39 (Search time: 0.001 seconds).