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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Jul-2018/M06_calculations bh_MECP_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G**-1620.79314396; 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 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 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 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
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/Single_points TS2-d-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G** GENECP-1749.2084176; Eh
Results 31-40 of 162 (Search time: 0.002 seconds).