Search        

Current filters:
Add filters:

Use filters to refine the search results.

  • previous
  • 1
  • next
Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Bimetallic/TS_FC_2Al/Scan2D Scan2DGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6--0.970058030316; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Bimetallic/TS_FC_2Al/Scan2D/FAIL FAILGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6--0.919379165136; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/No_Al/Uncatalyzed/TS/Scan2 Scan2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6--0.217608961065; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/TS_PM6 TS_PM6González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPM6--0.965854689372; Eh
Results 1-4 of 4 (Search time: 0.001 seconds).