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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Feb-2022HNSi_s_v1_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP GEN-1476.4103607; Eh
thumbnail.jpeg11-Feb-2022TpBr3Cu_v1Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-1011.75573636; Eh
thumbnail.jpeg11-Feb-2022HNSi_s_v2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP GEN-1476.4070494; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-br-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-204.218252636; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-cl-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-651.270498256; Eh
Login required18-Apr-2017/B3LYP-D3 TS2_with_OPh_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1856.06191934; Eh
thumbnail.jpeg21-Oct-2016p3García Muelas, RodrigoGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg21-Oct-2016b6eGarcía Muelas, RodrigoGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg21-Oct-2016b6tGarcía Muelas, RodrigoGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg21-Oct-2016e3García Muelas, RodrigoGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
Results 21-30 of 8009 (Search time: 0.002 seconds).