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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/M062X Int-Ni-pirrolMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1692.93133972; Eh
Login required21-Jun-2019/M062X TS1-pirrolMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1692.88917279; 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/M062X Cat_Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1329.11139647; Eh
Login required21-Jun-2019/M062X After_borylationMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-2141.01709319; Eh
Login required21-Jun-2019/M062X TS3CsB-OMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1446.02437164; Eh
Login required21-Jun-2019/M062X Int1-NiMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1014.95368414; Eh
Login required21-Jun-2019/M062X Prev2-modelMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1014.93017883; Eh
Login required21-Jun-2019/M062X TS4C_BMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1446.03402131; Eh
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