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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Apr-2017/B3LYP TS-iso1_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1423.27042092; Eh
Login required18-Apr-2017/B3LYP TS3_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1616.78796356; Eh
Login required18-Apr-2017/wB97xD TS1_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1422.98739769; Eh
Login required18-Apr-2017/wB97xD TS2_without_OPh_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-2009.68772396; Eh
Login required18-Apr-2017/wB97xD NaMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD--162.174194676; Eh
Login required18-Apr-2017/wB97xD TS-iso1_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1423.02747531; Eh
Login required18-Apr-2017/M06-2X TS2_without_OPh_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1548.43182484; Eh
Login required18-Apr-2017/B3LYP TS3_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1155.57792942; Eh
Login required18-Apr-2017/B3LYP TS2_with_OPh_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2317.12477985; Eh
Login required18-Apr-2017/wB97xD TS-iso1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-961.912128846; Eh
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