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Showing results 2916 to 2935 of 34458 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Apr-2017/B3LYP-D3 adductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--1056.19135664; Eh
Login required18-Apr-2017/B3LYP-D3 B2nep2Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--586.829933010; Eh
Login required18-Apr-2017/B3LYP-D3 BnepBenzeneMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--525.147485317; Eh
Login required18-Apr-2017/B3LYP-D3 BnepFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--393.357427940; Eh
Login required18-Apr-2017/B3LYP-D3 BnepOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--600.435315726; 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-D3 FluorobenzeneMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--331.586125084; Eh
Login required18-Apr-2017/B3LYP-D3 Int1_1monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-962.128944389; Eh
Login required18-Apr-2017/B3LYP-D3 Int1_2_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-962.130822835; 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/B3LYP-D3 Int2_2_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1155.61447626; Eh
Login required18-Apr-2017/B3LYP-D3 NaMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP--162.186364377; Eh
Login required18-Apr-2017/B3LYP-D3 NaFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--262.236909795; Eh
Login required18-Apr-2017/B3LYP-D3 NaFBOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--862.720342085; Eh
Login required18-Apr-2017/B3LYP-D3 NaOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--469.317938590; Eh
Login required18-Apr-2017/B3LYP-D3 phosphineMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--461.172569291; Eh
Login required18-Apr-2017/B3LYP-D3 TS-iso1_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1423.31432891; Eh
Login required18-Apr-2017/B3LYP-D3 TS-iso1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-962.126145505; Eh
Login required18-Apr-2017/B3LYP-D3 TS-iso2_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1616.80718155; Eh
Login required18-Apr-2017/B3LYP-D3 TS1_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1423.26717345; Eh