Browsing by Author Lopez Resano, Sara

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppy-SCF3Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06LANL2DZ 6-31G* GENECP-1749.02702700; Eh
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppy-SCF3-d-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.84799313; 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/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 Co-ppy-SCF3-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1749.01096832; 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 Co-ppySCF3-+_qLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.85210958; 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/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-ppySCF3-sLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06LANL2DZ 6-31G* GENECP-1748.96966337; Eh
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppySCF3-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.97719291; 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/Optimizations TS1-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM06LANL2DZ 6-31G* GENECP-1748.96733843; 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/Optimizations TS3-+2-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM06LANL2DZ 6-31G* GENECP-1748.60651583; 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-ppy-SCF3-+-qLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G** GENECP-1749.2038711; 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