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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Apr-2017/M06-2X Int1_1monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-961.830064350; Eh
Login required18-Apr-2017/M06-2X NaOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--469.140307082; Eh
Login required18-Apr-2017/B3LYP-D3 2Int-cis_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1616.85130599; Eh
Login required18-Apr-2017/M06-2X adductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1055.76477778; Eh
Login required18-Apr-2017/wB97xD Int2_1monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1155.31795408; Eh
Login required18-Apr-2017/B3LYP adductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--1056.14943309; Eh
Login required18-Apr-2017/wB97xD 1Int-cis_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1423.06036328; Eh
Login required18-Apr-2017/wB97xD Int1_2_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-961.917007379; Eh
Login required18-Apr-2017/B3LYP phosphineMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--461.167090441; Eh
Login required18-Apr-2017/wB97xD BnepFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--393.222873443; Eh
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