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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Oct-2019/Racemization/Al_Cat/EnsembleBn_OCC EnsembleBn_OCCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-783.847601737; Eh
Login required8-Oct-2019/Racemization/Al_Cat/Prod_H Prod_HGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-456.933545631; Eh
Login required8-Oct-2019/Racemization/Al_Cat/BnNH2 BnNH2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-326.892549497; 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/Prod ProdGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-456.399385675; Eh
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