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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Apr-2017/wB97xD TS-iso1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-961.912128846; Eh
Login required18-Apr-2017/wB97xD TS1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-961.844047666; Eh
Login required18-Apr-2017/wB97xD TS_form_adductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD--1055.83565138; Eh
Login required18-Apr-2017/wB97xD NaMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD--162.174194676; Eh
Login required18-Apr-2017/wB97xD TS2_with_OPh_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-2316.62325503; Eh
Login required18-Apr-2017/M06-2X TS2_adduct_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-2478.66050018; Eh
Login required18-Apr-2017/M06-2X TS2_without_OPh_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-2009.50778624; Eh
Login required18-Apr-2017/M06-2X TS-iso2_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1616.27706235; 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/M06-2X TS2_with_OPh_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-2316.42199221; Eh
Results 11-20 of 67 (Search time: 0.001 seconds).