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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required24-Jul-2019/pm7/propylene_carbonate ts1Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.326085461755; Eh
Login required24-Jul-2019/pm7/propylene_carbonate ts2Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.360386793601; Eh
Login required24-Jul-2019/pm7/toluene ts1Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.298661818926; Eh
Login required24-Jul-2019/pm7/toluene ts2Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.333409097173; 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.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
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