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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Insertion/TS3 TS3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2696.42923723; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/TS_p TS_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3178.70340236; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan2/Tests 3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-31G*-2868.26391288; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Insertion/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3171.63059515; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Insertion/TS3 TS3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2872.52326099; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/Poly/TS_p TS_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3182.27474023; Eh
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