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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Feb-2016FCb-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-669.351603710; Eh
thumbnail.jpeg29-Feb-2016Int4a-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2652.73509536; Eh
thumbnail.jpeg29-Feb-2016Int2a2-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1998.51907924; Eh
thumbnail.jpeg29-Feb-2016TS3b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.31500434; Eh
thumbnail.jpeg29-Feb-2016Int3b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3793.34142444; Eh
thumbnail.jpeg29-Feb-2016Int1b-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1808.19890579; Eh
thumbnail.jpeg29-Feb-2016TS3b-trans-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-3793.33316221; Eh
thumbnail.jpeg29-Feb-2016TS3b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-3793.33141503; Eh
thumbnail.jpeg29-Feb-2016FCb-cis-cis-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2464.26037111; Eh
thumbnail.jpeg29-Feb-2016Int3a-cis-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3793.37871613; Eh
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