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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jan-2021/Single_points Co-ppySCF3-2+-sLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G** GENECP-1749.0313536; Eh
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppy-SCF3-s-2+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRM06LANL2DZ 6-31G* GENECP-1748.59320534; 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 MECP1-Co-ppy-SCF3-s-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRM06LANL2DZ 6-31G* GENECP-1749.01063360; 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/Single_points TS1-sLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G** GENECP-1749.3408274; Eh
thumbnail.jpeg28-Jan-2021/Single_points TS1-+2-t-f4-bs2_BADLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G** GENECP-1748.969152; Eh
thumbnail.jpeg28-Jan-2021/Single_points Co-ppy-SCF3-t-2+-NFaLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G** GENECP-1748.9854868; Eh
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