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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--188.529990063; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1690.67350078; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1690.66618534; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/B97_D3/TS_From_HO_Frozen TS_From_HO_FrozenGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-631.200246109; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/B97_D3/Ensemble_Oriented Ensemble_OrientedGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-631.245888405; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/B97_D3/GC_R GC_RGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-456.805765952; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/B97_D3/TS_2D TS_2DGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-631.199657902; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/B97_D3/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-631.200246508; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/B97_D3/TMA TMAGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-174.418088076; Eh
Results 681-689 of 689 (Search time: 0.001 seconds).