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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/Pinacolato CsBCO3Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-695.309289275; 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 CatNi2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-2588.73128690; Eh
Login required21-Jun-2019/Pinacolato CsClMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-480.225823775; Eh
Login required21-Jun-2019/Pinacolato PPh3Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-1036.54135440; Eh
Login required21-Jun-2019/Pinacolato Int3_Ni_B_CCs2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.78402288; Eh
Login required21-Jun-2019/Pinacolato TS4after2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.79026117; Eh
Login required21-Jun-2019/Pinacolato TS4-afterMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.79207287; Eh
Login required21-Jun-2019/Pinacolato benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-383.762669728; Eh
Login required21-Jun-2019/Pinacolato Prev_benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1713.56545359; Eh
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