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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Apr-2017/B3LYP 2Int-trans_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1616.78208924; Eh
Login required18-Apr-2017/B3LYP TS-iso2_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1616.74586737; Eh
Login required18-Apr-2017/B3LYP TS1_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1423.22289427; Eh
Login required18-Apr-2017/B3LYP BnepBenzeneMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--525.130577758; Eh
Login required18-Apr-2017/B3LYP TS2_without_OPh_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2010.08629025; Eh
Login required18-Apr-2017/B3LYP TS2_adduct_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2479.40219673; Eh
Login required18-Apr-2017/B3LYP Int2_2_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1155.57808871; Eh
Login required18-Apr-2017/B3LYP TS-iso1_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1423.27042092; Eh
Login required18-Apr-2017/B3LYP BnepOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--600.416972998; Eh
Login required18-Apr-2017/B3LYP 2Int-cis_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1616.78808928; Eh
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