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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Apr-2017/wB97xD phosphineMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--461.103298962; Eh
Login required18-Apr-2017/B3LYP 1Int-cis_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1423.29631146; Eh
Login required18-Apr-2017/wB97xD B2nep2Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--586.616132879; Eh
Login required18-Apr-2017/wB97xD Int1_1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-961.914571172; Eh
Login required18-Apr-2017/M06-2X NaFBOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--862.393278087; Eh
Login required18-Apr-2017/M06-2X BnepFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--393.200332028; Eh
Login required18-Apr-2017/B3LYP-D3 CatMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1091.68701600; Eh
Login required18-Apr-2017/B3LYP TS-iso1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-962.099590965; Eh
Login required18-Apr-2017/B3LYP-D3 TS2_without_OPh_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1548.97918365; Eh
Login required18-Apr-2017/M06-2X phosphineMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--461.049678120; Eh
Results 31-40 of 180 (Search time: 0.001 seconds).