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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jul-2015/Butylamine/Reactants/TBD TBDGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--438.674054269; Eh
thumbnail.jpeg31-Jul-2015/Aniline/Reactants/Carbonate Propylene_CarbonateGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--381.607577481; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Reactants/Carbonate CarbonateGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--381.608334345; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/Water/2_Water/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--748.234582789; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/TBD/AD ADGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--1034.04596972; Eh
thumbnail.jpeg31-Jul-2015/Aniline/Catalyzed/TBD/AD ADGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--1107.81629772; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Uncatalyzed/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--595.365672718; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/TBD/Product P+TBDGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--1034.06105276; Eh
thumbnail.jpeg31-Jul-2015/Aniline/Catalyzed/TBD/Int1 Int1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--1107.79889054; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Reactants/Butylamine ButylamineGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--213.733449361; Eh
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