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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Apr-2017/B3LYP TS1_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1423.22289427; Eh
Login required18-Apr-2017/M06-2X TS_form_adductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G**-1055.75535495; Eh
Login required18-Apr-2017/B3LYP TS-iso1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-962.099590965; Eh
Login required18-Apr-2017/B3LYP-D3 TS2_without_OPh_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1548.97918365; Eh
Login required18-Apr-2017/B3LYP-D3 TS-iso2_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1616.80718155; Eh
Login required18-Apr-2017/wB97xD TS1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-961.844047666; Eh
Login required18-Apr-2017/B3LYP TS2_without_OPh_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2010.08629025; Eh
Login required18-Apr-2017/M06-2X TS2_with_OPh_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1855.37897623; Eh
Login required18-Apr-2017/M06-2X TS3_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1155.21478182; Eh
Login required18-Apr-2017/wB97xD TS2_adduct_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-2478.86988373; Eh
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