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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Feb-2016FCa-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2464.19056447; Eh
thumbnail.jpeg29-Feb-2016TS3b-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3793.37118164; Eh
thumbnail.jpeg29-Feb-2016TS3a-cis-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3793.38163848; Eh
thumbnail.jpeg29-Feb-2016FCb-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2464.24441663; Eh
thumbnail.jpeg29-Feb-2016Int3b-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3793.37973207; Eh
thumbnail.jpeg1-Dec-2017/Racemization/From6RingTo5/No_Cat No_CatGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD--456.726372899; Eh
thumbnail.jpeg29-Feb-2016FCb-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2464.18783134; Eh
thumbnail.jpeg29-Feb-2016Int3b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3793.32112310; Eh
thumbnail.jpeg29-Feb-2016TS3b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.31500434; Eh
thumbnail.jpeg29-Feb-2016Scan3b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3792.32818831; Eh
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