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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jul-2015/Aniline/Catalyzed/TBD/TS2_opt TS2-optGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--1107.80702412; Eh
thumbnail.jpeg31-Jul-2015/Aniline/Catalyzed/Water/2_Water/TS TS-WaterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--821.929548327; Eh
thumbnail.jpeg31-Jul-2015/Aniline/Catalyzed/TBD/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--1107.78721681; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/Water/2_Water/TS TS-2WaterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--748.175032788; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/TBD/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--1034.02109661; Eh
thumbnail.jpeg31-Jul-2015/Aniline/Uncatalyzed/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--669.055307491; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/Water/1_Water/TS TS-WaterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--671.747244637; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Uncatalyzed/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--595.303333233; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/TBD/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--1034.04349475; Eh
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