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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Oct-2019/Racemization/Al_Cat/From6RingTo5/Al_Cat/No_CO2/Scan_Alter Scan_AlterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure-6-31G(D)-2026.33463047; Eh
Login required8-Oct-2019/Racemization/Al_Cat/TS_Rac/Int_Rac Int_RacGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D)-456.274453586; Eh
Login required8-Oct-2019/Racemization/Al_Cat/Ensemble EnsembleGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-783.847573025; Eh
Login required8-Oct-2019/Racemization/Al_Cat/Int IntGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-456.397886704; Eh
Login required8-Oct-2019/Racemization/Al_Cat/Ep_Alk Ep_AlkGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-267.772995968; Eh
Login required8-Oct-2019/Racemization/Al_Cat/BnNH3 BnNH3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-327.364025657; Eh
Login required8-Oct-2019/Racemization/Al_Cat/TS_Rac TS_RacGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-456.389672738; Eh
Login required8-Oct-2019/Racemization/Al_Cat/Prod ProdGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-456.399385675; Eh
Login required8-Oct-2019/Racemization/Al_Cat/TS_Rac/Freq FreqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-31G(D)-456.264743798; Eh
Results 1571-1579 of 1579 (Search time: 0.004 seconds).