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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Apr-2017/M06-2X NaFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--262.109393011; Eh
Login required18-Apr-2017/wB97xD CatMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1091.53055854; Eh
Login required18-Apr-2017/B3LYP-D3 BnepOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--600.435315726; Eh
Login required18-Apr-2017/B3LYP-D3 2Int-trans_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1616.84763650; Eh
Login required18-Apr-2017/B3LYP TS2_adduct_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2018.25410956; 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-D3 Int2_1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1155.60878437; Eh
Login required18-Apr-2017/M06-2X TS_form_adductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G**-1055.75535495; Eh
Login required18-Apr-2017/wB97xD NaFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--262.140896644; Eh
Login required18-Apr-2017/wB97xD NaFBOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--862.448698432; Eh
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