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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required18-Apr-2017/B3LYP 1Int-trans_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1423.30696336; Eh
Login required18-Apr-2017/B3LYP BnepFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--393.348893232; Eh
Login required18-Apr-2017/B3LYP NaOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--469.310243661; Eh
Login required18-Apr-2017/B3LYP NaFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--262.236780720; Eh
Login required18-Apr-2017/B3LYP NaMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP--162.186364377; Eh
Login required18-Apr-2017/B3LYP-D3 1Int-trans_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1423.35378512; Eh
Results 21-30 of 68 (Search time: 0.002 seconds).