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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Feb-2021/Dichloromethane TS_Py_AdditionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.494847800; 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/Formamide TS_Py_AdditionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.491310617; Eh
thumbnail.jpeg18-Feb-2021/FormicAcid TS_Peroxo_BreakGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.356819639; Eh
thumbnail.jpeg18-Feb-2021/Heptane TS_Py_AdditionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.482963525; Eh
thumbnail.jpeg19-May-2020TS5Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1776.01597695; Eh
thumbnail.jpeg19-May-2020TS6Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1775.99993241; Eh
thumbnail.jpeg18-Feb-2021/Isopropylbenzene TS_Py_AdditionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.485138738; Eh
thumbnail.jpeg18-Feb-2021/IsoQuinoline TS_Peroxo_BreakGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-670.362129381; Eh
Results 21-30 of 123 (Search time: 0.001 seconds).