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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2020GD3Fe4H2O_6_21freqBesora, MariaGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.34847730; Eh
thumbnail.jpeg20-Nov-2020GD3Fe4O_7_20freqBesora, MariaGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.21030068; Eh
thumbnail.jpeg20-Nov-2020GD3bjFe4OH_6_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Single point Structure-LANL2DZ 6-31G(D,P)-7000.90322949; Eh
thumbnail.jpeg25-Jun-2018V-oxo_fully-oxSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYPlanl2dz; 6-31g(d,p)-4815.48384800; Eh
thumbnail.jpeg25-Jun-2018V-oxo_1e_symSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureUB3LYPlanl2dz; 6-31g(d,p)-4815.59005707; Eh
thumbnail.jpeg25-Jun-2018V-thf_tripletSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureUB3LYPlanl2dz; 6-31g(d,p)-4972.72244086; Eh
thumbnail.jpeg14-May-2018/NbK-H TS_NbOOH-cyH_Oalpha_KHSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg25-Jun-2018V-oxo_2e_sym_tripletSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureUB3LYPlanl2dz; 6-31g(d,p)-4815.66532844; Eh
thumbnail.jpeg25-Jun-2018V-oxo_2e_sym_singletSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYPlanl2dz; 6-31g(d,p)-4815.66573557; Eh
thumbnail.jpeg14-May-2018/NbL Nb-oxo_LSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
Results 11-20 of 130 (Search time: 0.0 seconds).