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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 TS_Peroxo_BreakGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.361658508; 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 TS_Py_AdditionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.482813184; Eh
thumbnail.jpeg18-Feb-2021/Dibutylether TS_Peroxo_BreakGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.350509944; Eh
thumbnail.jpeg18-Feb-2021/Dibutylether TS_DecompGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.507499568; Eh
thumbnail.jpeg18-Feb-2021/Dichloromethane TS_Peroxo_BreakGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.359553427; Eh
thumbnail.jpeg18-Feb-2021/DiMethylSulfoxide TS_DecompGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.513784445; Eh
thumbnail.jpeg18-Feb-2021/DiMethylSulfoxide TS_Py_AdditionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.492186870; Eh
thumbnail.jpeg18-Feb-2021/Ethanol TS_Peroxo_BreakGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.366176065; Eh
Results 1-10 of 95 (Search time: 0.002 seconds).