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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2020TS1_M062X_tolGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-3170.16687491; Eh
Login required10-Jan-2020TS1_M062X_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-3170.18591934; 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-2020TS2_M062X_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-3170.20852948; Eh
thumbnail.jpeg1-Dec-2021TS458Garay Ruiz, DiegoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062X; RCCSDGEN AUG-CC-PVTZ-363.0046898; Eh
thumbnail.jpeg1-Dec-2021TS55Garay Ruiz, DiegoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062X; RCCSDGEN AUG-CC-PVTZ-363.0335604; Eh
Results 41-50 of 79 (Search time: 0.002 seconds).