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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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.jpeg28-Jan-2021/Optimizations TS3-+2-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM06LANL2DZ 6-31G* GENECP-1748.60651583; Eh
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