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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Apr-2017/wB97xD NaFBOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--862.448698432; Eh
Login required18-Apr-2017/wB97xD adductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--1055.84111585; Eh
Login required18-Apr-2017/B3LYP-D3 NaFBOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--862.720342085; Eh
Login required18-Apr-2017/wB97xD BnepFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--393.222873443; Eh
Login required18-Apr-2017/wB97xD phosphineMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--461.103298962; Eh
Login required18-Apr-2017/wB97xD NaFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--262.140896644; Eh
Login required18-Apr-2017/wB97xD NaOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--469.179789969; Eh
Login required18-Apr-2017/wB97xD TS2_without_OPh_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-2009.68772396; Eh
Login required18-Apr-2017/wB97xD TS2_with_OPh_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1855.51647499; Eh
Login required18-Apr-2017/wB97xD 2Int_trans_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1616.49341888; Eh
Results 11-20 of 169 (Search time: 0.001 seconds).