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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jul-2015/Aniline/Uncatalyzed/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--669.055307491; Eh
thumbnail.jpeg29-Feb-2016TSb-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1998.44945781; Eh
thumbnail.jpeg29-Feb-2016TS1b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1808.13363121; Eh
thumbnail.jpeg29-Feb-2016TS2a1-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1998.45908996; Eh
thumbnail.jpeg29-Feb-2016TS4b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2652.72779635; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Uncatalyzed/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--595.303333233; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/RO/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2507.86078924; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Poly/Dec_TS Dec_TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3006.18424930; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Poly/TS_p TS_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3006.16732138; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/RO/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2979.49951005; Eh
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