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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppy-SCF3-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1749.01096832; Eh
thumbnail.jpeg28-Jan-2021/Optimizations TS2-Co+-dLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM06LANL2DZ 6-31G* GENECP-1748.83273464; Eh
thumbnail.jpeg28-Jan-2021/Single_points q-Co-ppySCF3-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G** GENECP-1749.2296195; Eh
thumbnail.jpeg28-Jan-2021/Single_points Co-ppy-SCF3-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G** GENECP-1749.3977219; Eh
thumbnail.jpeg28-Jan-2021/Single_points TS1-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G** GENECP-1749.349035; 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-q-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.81743254; Eh
thumbnail.jpeg28-Jan-2021/Single_points Co-ppySCF3-2+-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G** GENECP-1749.0327711; 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 Co-ppySCF3-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.97719291; Eh
Results 1-10 of 24 (Search time: 0.001 seconds).