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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppySCF3-+_qLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.85210958; Eh
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppySCF3-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.97719291; Eh
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppySCF3-2+-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.66136773; Eh
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppy-SCF3-t-2+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.61071764; Eh
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppySCF3-+-dLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.86034129; Eh
thumbnail.jpeg11-May-2021BFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(D) GENECP-1275.58678162; Eh
thumbnail.jpeg11-May-2021osC_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(D) GENECP-1283.15630682; Eh
thumbnail.jpeg11-May-2021O2-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(D) GENECP-150.250838254; Eh
thumbnail.jpeg11-May-2021osB_bisFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(D) GENECP-1283.15456674; Eh
thumbnail.jpeg11-May-20213BbisFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(D) GENECP-1275.55379673; Eh
Results 21-30 of 37 (Search time: 0.001 seconds).