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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Oct-2019/Racemization/TMA_Cat/PM6/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPM6VSTO-6G ZDO-0.299241736265; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/PM6/Ensemble_Oriented Ensemble_OrientedGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.305796171352; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/Ensemble/PM6 EnsembleGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.307506495988; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/PM6/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPM6VSTO-6G ZDO-0.298806546859; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/Ensemble/PM6 Ensemble-OrientedGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.306980217793; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/PM6/TS1/Before BeforeGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.299247180580; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/PM6/TS2/Freq2 Freq2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRPM6VSTO-6G ZDO-0.298888571472; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/PM6/TS2/Freq FreqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRPM6VSTO-6G ZDO-0.298806546851; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/PM6/TMA TMAGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-
Login required8-Oct-2019/Racemization/TMA_Cat/PM6/GC_R GC_RGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.287457266542; Eh
Results 1-10 of 11 (Search time: 0.001 seconds).