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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required8-Oct-2019/Racemization/TMA_Cat/PM6/Int IntGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.299301186575; Eh
Login required24-Jul-2019/pm6/propylene_carbonate br_anionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Single point TSRPM6VSTO-6G ZDO-0.176011816508; Eh
Login required24-Jul-2019/pm6/propylene_carbonate hemicarbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.402189358054; Eh
Login required24-Jul-2019/pm6/propylene_carbonate propylene_carbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.224678622671; Eh
Results 11-20 of 62 (Search time: 0.001 seconds).