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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 Co-ppy-SCF3-+-qLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G** GENECP-1749.2038711; Eh
thumbnail.jpeg28-Jan-2021/Single_points Co-SCF3ppy-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G** GENECP-1749.3569657; Eh
thumbnail.jpeg28-Jan-2021/Single_points Co-ppy-SCF3Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G** GENECP-1749.4124427; 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/Single_points Co-ppy-SCF3-d-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G** GENECP-1749.2301478; Eh
thumbnail.jpeg28-Jan-2021/Single_points Co-ppySCF3Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G** GENECP-1749.349029; 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 Co-ppy-SCF3-s-2+-Ft-SP_NOT_GOODLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G** GENECP-1748.9658554; 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
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