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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/Racemization/Scan_H/TS_FAIL TS_FAILGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--783.832304928; Eh
thumbnail.jpeg1-Dec-2017/Racemization/TS_Rac/Freq FreqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--456.264743798; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OH/Glycidol/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--268.318778191; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OH/IC/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--1838.32362669; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OH/IC/Butanone ButanoneGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--1838.32464845; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OMe/Glycidol_Me/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--307.612159216; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/TMS/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--449.197277534; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OMe/IC_Me/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--1877.62037738; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Monometallic/OH_Insertion_Gly_coCat/Scan_CC4/No_Opt 1_74González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--2026.13345499; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Bimetallic/Ensemble EnsembleGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--3596.88148098; Eh
Results 1-10 of 55 (Search time: 0.002 seconds).