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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jan-2019/Rearrangement-Deproton-Oxidation 4Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.7334151; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuN_s_v1_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP DEF2QZVP GEN-26380.0667085; Eh
thumbnail.jpeg24-Jan-20191-octeneFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-314.5914494; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-nhcho-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-360.354022253; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3pdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2193.13250564; Eh
thumbnail.jpeg24-Jan-2019/Rearrangement-Deproton-Oxidation 6Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2083.692716; Eh
thumbnail.jpeg24-Jan-2019/Beta-Hydride_Elimination 12Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.2497108; Eh
thumbnail.jpeg24-Jan-20192-iodoacetanilideFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-451.2049853; Eh
thumbnail.jpeg24-Jan-2019productFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-753.8312113; Eh
thumbnail.jpeg24-Jan-2019HINEt3Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-304.588112; Eh
Results 31-40 of 6445 (Search time: 0.016 seconds).