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/Bimetallic/IC_p IC_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3178.73139485; Eh
thumbnail.jpeg17-Oct-2016/Initiation_Insertion/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1489.29609576; Eh
thumbnail.jpeg17-Oct-2016/Bimetallic/Insertion_2CO2/polycho/alternativo/ts_isom/6_31G/scan scanGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-2187.13033986; Eh
thumbnail.jpeg17-Oct-2016/Cyclic_Carbonate/TS_CC/CO2_CHO_Copolymerization/TS_CC/SOLV/Int1/CC CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1677.84084488; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/Scans/Scan2/Sum SumGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.93054392; Eh
thumbnail.jpeg17-Oct-2016/Bimetallic/Carbonyl/Int_p Int_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3178.71794276; Eh
thumbnail.jpeg17-Oct-2016/Bimetallic/O_Al/Int_p Int_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3178.70893864; 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/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/Bimetallic/Carbonyl/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1999.17070277; Eh
Results 51-60 of 113 (Search time: 0.002 seconds).