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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 BnepBenzeneMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--524.948316906; Eh
Login required18-Apr-2017/wB97xD B2nep2Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--586.616132879; Eh
Login required18-Apr-2017/wB97xD FluorobenzeneMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--331.465126634; 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 TS2_adduct_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-2478.66050018; Eh
Login required18-Apr-2017/M06-2X Int2_1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1155.20901680; 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 CatMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1091.40667549; Eh
Results 41-50 of 832 (Search time: 0.002 seconds).