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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.jpeg1-Dec-2017/Racemization/From6RingTo5/No_Cat No_CatGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD--456.726372899; 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.jpeg30-Jan-2019/Gas_Opt/B3LYP/TS_isom TS_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311G**-1691.30004445; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311G**-1502.64499749; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-311G**-1691.30756169; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/TS3 TS3González Fabra, JoanGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-311G**-1691.30073336; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/TS_isom TS_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G**-1690.41348352; Eh
thumbnail.jpeg29-Feb-2016TS3b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.32788291; Eh
Results 1-10 of 609 (Search time: 0.002 seconds).