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Showing results 13263 to 13282 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/Chloride ChlorideGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D3--15.0283281733; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/Chloride/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--15.1389866070; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/CHO CHOGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--309.725460839; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/CHO/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--309.728908968; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--188.535124368; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/CO2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--188.537154122; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/Dimer DimerGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2359.08115893; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Reactants/Dimer/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2359.11264319; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/RO/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2668.84515232; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/RO/IC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2668.87247542; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/RO/Int1 Int1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2683.99450704; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/RO/Int1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2684.04998925; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/RO/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2683.95097062; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/RO/TS/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2684.01889045; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Ensemble EnsembleGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2868.94731123; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2868.97720251; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Int2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2869.03384722; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Int2_a/SOLV_Linear SOLV_LinearGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2869.02702407; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Int2_b Int2_bGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2868.96804574; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Int2_b/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2869.02910866; Eh