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_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/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--188.535124368; 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_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/Reactants/CAT/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1179.51994782; Eh
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_I/Insertion/Extra/Scans/Scan_chelate Scan_chelateGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-2868.26851816; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/TS_chelate TS_chelateGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2868.95320962; Eh
Results 201-210 of 281 (Search time: 0.001 seconds).