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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/Pinacolato TS3CsB-CMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1446.74892533; Eh
Login required21-Jun-2019/Pinacolato TS4O_BMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1446.76110483; Eh
Login required21-Jun-2019/Pinacolato PreProd_O_BMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1446.76110483; Eh
Login required21-Jun-2019/Pinacolato TS2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2142.05039100; Eh
Login required21-Jun-2019/Pinacolato TS4C_BMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1446.74562497; Eh
Login required21-Jun-2019/Pinacolato TS1_benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1713.52611512; Eh
thumbnail.jpeg31-Jul-2015/Aniline/Uncatalyzed/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D3--669.055307491; Eh
thumbnail.jpeg29-Feb-2016TSb-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1998.44945781; Eh
thumbnail.jpeg29-Feb-2016TS1b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1808.13363121; Eh
thumbnail.jpeg29-Feb-2016TS2a1-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1998.45908996; Eh
Results 1-10 of 609 (Search time: 0.002 seconds).