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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2020NCMe-SCN-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D) GENECP-1835.84961405; Eh
thumbnail.jpeg30-Sep-2020Fe(Lcyc)(MeCN)2-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D) GENECP-1477.41250925; Eh
thumbnail.jpeg30-Sep-2020Fe(Lcyc)(MeCN)-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D) GENECP-1344.62976624; Eh
thumbnail.jpeg30-Sep-2020SCN-NCMe-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D) GENECP-1835.84741748; Eh
thumbnail.jpeg30-Sep-2020Fe(Lcyc)-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D) GENECP-1211.84450082; Eh
thumbnail.jpeg30-Sep-2020SCN-NCMe-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D) GENECP-1835.84238893; Eh
thumbnail.jpeg30-Sep-2020NCS-NCMe-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D) GENECP-1835.85113803; Eh
thumbnail.jpeg30-Sep-2020NCMe-SCN-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D) GENECP-1835.84036168; Eh
thumbnail.jpeg30-Sep-2020mer_6coord_NCS-quartetFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D) GENECP-1891.69420615; Eh
thumbnail.jpeg30-Sep-2020mer_6coord_SCN-doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D) GENECP-1891.68203831; Eh
Results 721-730 of 1468 (Search time: 0.003 seconds).