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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/M062X Int3_Ni_B_OCsMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1446.03253789; Eh
Login required21-Jun-2019/Pinacolato CatNi2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-2588.73128690; Eh
Login required21-Jun-2019/M062X Int-Ni-pirrolMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1692.93133972; Eh
Login required21-Jun-2019/wB97X-D ProductMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-814.925707071; Eh
Login required21-Jun-2019/RealCat TS1Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1713.55522412; Eh
Login required21-Jun-2019/M062X TS1-pirrolMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1692.88917279; Eh
Login required21-Jun-2019/Pinacolato After_borylationMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-2142.07325910; Eh
Login required21-Jun-2019/wB97X-D TS2-modelMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-2141.37418765; Eh
Login required21-Jun-2019/M062X Int2_Ni_B2CsMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1446.05452244; Eh
Login required21-Jun-2019/wB97X-D PrevNMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1693.11443553; Eh
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