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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/Pinacolato CatNi2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-2588.73128690; Eh
Login required21-Jun-2019/RealCat TS1Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1713.55522412; Eh
Login required21-Jun-2019/Pinacolato After_borylationMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-2142.07325910; Eh
Login required21-Jun-2019/Pinacolato Int2_Ni_B2CsMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.76575662; Eh
Login required21-Jun-2019/Pinacolato TS4after2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.79026117; Eh
Login required21-Jun-2019/RealCat Prev2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1713.59295126; Eh
Login required21-Jun-2019/RealCat PrevMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1713.56518219; Eh
Login required21-Jun-2019/RealCat Cat_Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1329.73785248; Eh
Login required21-Jun-2019/Pinacolato Int3_Ni_B_CCsMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.76349437; Eh
Login required21-Jun-2019/Kioto Project After_TS2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1827.40096556; Eh
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