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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-May-2020TS5_1Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1776.01017940; Eh
thumbnail.jpeg19-May-2020TS6_1Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1775.99516281; Eh
thumbnail.jpeg18-Feb-2021/BenzylAlcohol TS_Peroxo_BreakGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.361930770; Eh
thumbnail.jpeg18-Feb-2021/BenzylAlcohol TS_DecompGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.514969057; Eh
thumbnail.jpeg19-May-2020TS1Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1397.15098023; Eh
thumbnail.jpeg18-Feb-2021/Chloroform TS_Py_AdditionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.491852061; 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_DecompGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.515499573; Eh
thumbnail.jpeg18-Feb-2021/DiMethylSulfoxide TS_Peroxo_BreakGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.359287241; 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 130 (Search time: 0.002 seconds).