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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Feb-2016TS4b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2652.72779635; Eh
Login required18-Apr-2017/B3LYP-D3 TS2_with_OPh_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1856.06191934; Eh
Login required24-Jul-2019/pm7/propylene_carbonate ts1Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.326085461755; Eh
Login required24-Jul-2019/pm7/propylene_carbonate ts2Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.360386793601; Eh
Login required24-Jul-2019/pm7/toluene ts1Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.298661818926; Eh
Login required24-Jul-2019/pm7/toluene ts2Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.333409097173; Eh
thumbnail.jpeg20-Aug-2019TS3_bisMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLANL2DZ 6-311G** GEN-1616.44954509; Eh
thumbnail.jpeg29-Jan-2016TS3(Opt)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-311G(d,p); LANL2DZ-5146.12281564; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Uncatalyzed/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--595.303333233; Eh
Login required18-Apr-2017/wB97xD TS2_adduct_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-2478.86988373; Eh
Results 11-20 of 609 (Search time: 0.002 seconds).