Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3477.83610538; 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/Reactants/Catalyst CatalystGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1179.50357834; Eh
thumbnail.jpeg17-Oct-2016/Initiation_Insertion/IC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1489.31030423; Eh
thumbnail.jpeg17-Oct-2016/Bimetallic/Carbonyl/Int_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3178.77816569; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--188.535124368; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Poly/Dec_TS/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3182.34481400; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Insertion/Int3 Int3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3168.06913561; Eh
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/Dimer/Al_Me_I/Reactants/CHO/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--309.728908968; Eh
Results 91-100 of 281 (Search time: 0.002 seconds).