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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Jan-2020ts1Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-2955.97413196; Eh
Login required10-Jan-2020TS2_PM6_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPM6VSTO-6G ZDO-0.260005604623; Eh
Login required10-Jan-2020TS1_PM6_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPM6VSTO-6G ZDO-0.229210433046; Eh
Login required10-Jan-2020ts1Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPM6VSTO-6G ZDO-0.320977727745; Eh
Login required10-Jan-2020ts2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPM6VSTO-6G ZDO-0.351872450473; Eh
Login required10-Jan-2020ts1Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.326085461755; Eh
Login required10-Jan-2020ts2Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.360386793601; 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
Results 111-119 of 119 (Search time: 0.001 seconds).