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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/Racemization/From6RingTo5/Al_Cat/CO2_Insertion/TS_H/FC FCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.91683779; Eh
thumbnail.jpeg1-Dec-2017/Racemization/From6RingTo5/Al_Cat/CO2_Insertion/TS_Insertion/After AfterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2215.50824931; 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/From6RingTo5/Al_Cat/No_CO2/FC_Alter FC_AlterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.92621103; Eh
thumbnail.jpeg1-Dec-2017/Racemization/From6RingTo5/Al_Cat/No_CO2/Scan/Zoom ZoomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.90155024; Eh
thumbnail.jpeg1-Dec-2017/Racemization/From6RingTo5/Al_Cat/No_CO2/FC_H FC_HGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.94080460; Eh
thumbnail.jpeg1-Dec-2017/Racemization/From6RingTo5/Al_Cat/No_CO2/Scan ScanGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.49527700; Eh
thumbnail.jpeg1-Dec-2017/Racemization/From6RingTo5/Product_6 Product_6González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.926107755; Eh
thumbnail.jpeg1-Dec-2017/Racemization/BnNH3 BnNH3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--327.364025657; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Scan2 Scan2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---456.248261164; Eh
Results 31-40 of 701 (Search time: 0.001 seconds).