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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_H/Scan/Killed KilledGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---2026.92376891; 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/Racemization/From6RingTo5/Al_Cat/No_CO2/Scan_Alter Scan_AlterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---2026.33463047; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Scan2 Scan2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---456.248261164; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/B3LYP/OH/IC/Rot_3 7González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--1838.19733136; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/B3LYP/OH/IC/Rot_4 9González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--1838.93183561; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/B3LYP/OH/IC/Rot_3 9González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--1839.01031679; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/B3LYP/OH/Glycidol/Glycidol_3/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--268.432722877; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/B3LYP/OH/IC/Rot_3/10 10González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--1839.00894838; Eh
Results 1-10 of 169 (Search time: 0.001 seconds).