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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/wB97X-D TS1-pirrolMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1693.07987212; Eh
Login required21-Jun-2019/wB97X-D TS1-modelMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1014.98638504; Eh
Login required21-Jun-2019/wB97X-D TS3CsB-OMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1446.27348492; Eh
Login required21-Jun-2019/M062X TS2-modelMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-2140.99843259; Eh
Login required21-Jun-2019/RealCat TS1Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1713.55522412; Eh
Login required21-Jun-2019/Pirrol TS1Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1693.68728913; Eh
Login required21-Jun-2019/M062X TS3CsB-CMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1446.04247941; Eh
Login required21-Jun-2019/M062X TS4O_BMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1446.05569034; Eh
Login required21-Jun-2019/M062X TS1_benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1712.72156680; Eh
Login required21-Jun-2019/M062X TS1-modelMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1014.89071339; Eh
Results 11-20 of 27 (Search time: 0.002 seconds).