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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/Pinacolato Prev2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1015.37081629; Eh
Login required21-Jun-2019/RealCat Int-NiMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1713.61150515; Eh
Login required21-Jun-2019/RealCat PrevMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1713.56518219; Eh
Login required21-Jun-2019/RealCat TS2b2pin22Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2368.31511282; Eh
Login required21-Jun-2019/RealCat TS2b2nep2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2289.63823558; Eh
Login required21-Jun-2019/RealCat cat_simpleMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-857.786295162; Eh
Login required21-Jun-2019/Pirrol ReactMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-363.930274508; Eh
Login required21-Jun-2019/Pinacolato TS3CsB-OMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1446.73342512; Eh
Login required21-Jun-2019/Pinacolato ProductMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-815.200961797; Eh
Login required21-Jun-2019/Pirrol Prev2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1693.73348207; Eh
Results 91-100 of 100 (Search time: 0.001 seconds).