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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/IC_p IC_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3477.82195846; Eh
thumbnail.jpeg17-Oct-2016/Bimetallic/Carbonyl/Product/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1999.22628391; Eh
thumbnail.jpeg17-Oct-2016/Bimetallic/IC_p/NBO NBOGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3178.73139481; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/CHO/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--309.728908968; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--188.535124368; 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/Bimetallic/Insertion_2CO2/polycho/ts_isom/6_31G/scan scanGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-2187.12942303; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Insertion/Int2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3168.11671331; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/Dimer/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2658.23692326; 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
Results 101-110 of 281 (Search time: 0.001 seconds).