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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Feb-2021/BenzylAlcohol TS_Py_AdditionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.495638181; Eh
thumbnail.jpeg18-Feb-2021/Butanone PyGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-248.262727042; Eh
thumbnail.jpeg18-Feb-2021/Butanone TS_Peroxo_BreakGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.361658508; Eh
thumbnail.jpeg18-Feb-2021/Butanone CarbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-670.538240126; Eh
thumbnail.jpeg18-Feb-2021/Butanone TS_DecompGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.516766782; Eh
thumbnail.jpeg18-Feb-2021/Chloroform PeroxyformateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-422.133558609; Eh
thumbnail.jpeg18-Feb-2021/Cyclohexane TS_Peroxo_BreakGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.345106380; Eh
thumbnail.jpeg18-Feb-2021/Cyclohexane CarbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-670.531635320; Eh
thumbnail.jpeg18-Feb-2021/Cyclohexane TS_DecompGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.504021610; Eh
thumbnail.jpeg18-Feb-2021/Cyclohexane CO2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-188.576215875; Eh
Results 31-40 of 398 (Search time: 0.002 seconds).