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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/M062X TS4O_BMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1446.05569034; Eh
Login required21-Jun-2019/M062X TS1Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1712.75632121; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/M06_2X/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G(D,P)-631.314708533; Eh
Login required8-Oct-2019/Decarboxylation/M06_2X/Int IntGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G(D,P)-456.777829265; Eh
Login required24-Jul-2019/m062x/toluene ts1Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-2955.94593729; Eh
Login required24-Jul-2019/m062x/toluene ts2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-2955.97091846; Eh
Login required24-Jul-2019/m062x/propylene_carbonate ts2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-2955.99937839; Eh
Login required24-Jul-2019/m062x/propylene_carbonate ts1Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-2955.97413196; Eh
Login required10-Jan-2020TS2_M062X_tolGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-3170.17665655; Eh
Login required10-Jan-2020TS1_M062X_tolGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-3170.16687491; Eh
Results 31-40 of 79 (Search time: 0.571 seconds).