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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-ppySCF3-sLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06LANL2DZ 6-31G* GENECP-1748.96966337; 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/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/Optimizations TS1-sLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06LANL2DZ 6-31G* GENECP-1748.96058500; 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/Optimizations Co-ppySCF3-2+-sLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06LANL2DZ 6-31G* GENECP-1748.66376086; 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 Co-ppySCF3Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G** GENECP-1749.349029; 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
Results 1-10 of 12 (Search time: 0.0 seconds).