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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Sep-2022/Retention/MECP5trans MECP5-Cl-trans-s-SPLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G** GENECP-3569.8256095; Eh
thumbnail.jpeg16-Sep-2022/Cl_system i1-Cl-sLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-2655.46117883; Eh
thumbnail.jpeg16-Sep-2022/MECP/MECP4/Cat SP-MECP-4-+-1Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G** GENECP-2760.2575414; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i7-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-4186.70239308; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i6-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-3069.39713595; Eh
thumbnail.jpeg16-Sep-2022/Cl_system i6-ClLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-3529.76759517; Eh
thumbnail.jpeg16-Sep-2022/Cl_system i2-ClLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-2345.77725685; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system i9-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-3312.38870215; Eh
thumbnail.jpeg16-Sep-2022/Cl_system i3-ClLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G* GENECP-3463.07891043; Eh
thumbnail.jpeg16-Sep-2022/Cl_system TS34-ClLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G* GENECP-3463.05838201; Eh
Results 1-10 of 55 (Search time: 0.001 seconds).