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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Oct-2019ts_conc_to_a_hemicarbGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3226.43382560; Eh
thumbnail.jpeg29-Oct-2019ts_to_a_alkGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3037.88329665; Eh
thumbnail.jpeg29-Oct-2019ts_am_to_a_hemicarbGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3226.43479010; Eh
thumbnail.jpeg29-Oct-2019ts2_am_alkGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3037.88632158; Eh
thumbnail.jpeg29-Oct-2019ts_am_cyclGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3226.43643597; Eh
thumbnail.jpeg29-Oct-2019conc_ts2_to_am_hemicarbGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3226.42579384; Eh
thumbnail.jpeg29-Oct-2019ts_h_migr_a_amGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3037.88716540; Eh
thumbnail.jpeg18-Feb-2021/Ethanol TS_DecompGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.518045459; Eh
thumbnail.jpeg18-Feb-2021/Ethanol TS_Py_AdditionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.499339255; Eh
thumbnail.jpeg18-Feb-2021/Formamide TS_Peroxo_BreakGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.356984977; Eh
Results 31-40 of 205 (Search time: 0.002 seconds).