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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Reactants/Epoxyhexane EpoxyhexaneGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--311.044430760; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Reactants/Iodide IodideGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRwB97XD--11.5741245133; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--188.572293711; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1690.97207608; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G**-1690.95801828; 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/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/Ensemble EnsembleGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-783.847573025; 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
Results 781-790 of 822 (Search time: 0.011 seconds).