Search        

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/IC_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3477.87664043; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Insertion/Scan ScanGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3167.21444498; Eh
thumbnail.jpeg17-Oct-2016/Reactants/Catalyst/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1179.52091306; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Reactants/Chloride/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--15.1389866070; Eh
thumbnail.jpeg17-Oct-2016/Cyclic_Carbonate/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--498.298945768; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Poly/Scans/Scan_isom Scan_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.93879761; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Insertion/TS2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3168.11569806; Eh
thumbnail.jpeg17-Oct-2016/Bimetallic/Carbonyl/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1999.17070277; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/Product/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3477.89073195; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/Dimer DimerGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2658.21873942; Eh
Results 9161-9170 of 103542 (Search time: 0.007 seconds).