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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Feb-2016TS3a-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.32571638; Eh
thumbnail.jpeg29-Feb-2016TS3b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.31500434; Eh
thumbnail.jpeg29-Feb-2016TS3b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.31167992; Eh
thumbnail.jpeg29-Feb-2016TS3b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.32788291; Eh
thumbnail.jpeg29-Feb-2016TS3a-cis-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.32381147; Eh
thumbnail.jpeg29-Feb-2016TS3b-trans-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-31G*-3792.31370496; Eh
thumbnail.jpeg29-Feb-2016TS3b-cis-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-31G*-3792.31209129; Eh
thumbnail.jpeg29-Feb-2016TS3a-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.32247374; Eh
thumbnail.jpeg29-Feb-2016TS3a-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.32397385; Eh
thumbnail.jpeg29-Feb-2016TS3b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.33277599; Eh
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