Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Apr-2017/B3LYP-D3 TS2_without_OPh_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2010.18449618; Eh
Login required18-Apr-2017/B3LYP-D3 TS-iso1_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1423.31432891; Eh
Login required18-Apr-2017/B3LYP-D3 TS3_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1616.85163373; Eh
Login required18-Apr-2017/B3LYP-D3 TS3_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1155.61414531; Eh
Login required18-Apr-2017/B3LYP-D3 TS2_adduct_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2479.51671840; Eh
Login required18-Apr-2017/B3LYP-D3 TS-iso1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-962.126145505; Eh
Login required18-Apr-2017/M06-2X TS-iso1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-961.824803160; Eh
Login required18-Apr-2017/B3LYP TS2_without_OPh_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1548.91429366; Eh
Login required18-Apr-2017/B3LYP TS1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-962.035012493; Eh
Login required18-Apr-2017/M06-2X TS-iso2_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1616.27706235; Eh
Results 21-30 of 589 (Search time: 0.001 seconds).