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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-2019_HO--OH_-1Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-151.713681100; Eh
thumbnail.jpeg27-Feb-2019_HO--OH_-2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-151.895544104; Eh
thumbnail.jpeg29-Jan-2016f-B-4+_Optimisation_and_Frequency_CalculationSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-311G(d,p); LANL2DZ-880.734148140; Eh
thumbnail.jpeg29-Jan-2016f-M-4+_Frequency_CalculationSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-880.739756237; Eh
thumbnail.jpeg30-Apr-2019MECP_c1-c2_FFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-2498.1679334; Eh
thumbnail.jpeg30-Apr-2019MECP_c1-c2_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2498.1726813; Eh
thumbnail.jpeg30-Apr-2019MECP_c4_c5Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-2498.2253424; Eh
thumbnail.jpeg30-Apr-2019c2pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2498.2193585; Eh
thumbnail.jpeg30-Apr-2019c4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2498.2497547; Eh
thumbnail.jpeg30-Apr-2019c3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2498.2379964; Eh
Results 24941-24950 of 104445 (Search time: 0.025 seconds).