Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_2e_dist_tripletSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureUB3LYPlanl2dz; 6-31g(d,p)-4815.68408576; Eh
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.jpeg25-Jun-2018V-oxo_1e_distortedSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureUB3LYPlanl2dz; 6-31g(d,p)-4815.59944698; 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_singletSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYPlanl2dz; 6-31g(d,p)-4972.67104524; 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/NbL TS1-activ_LSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg14-May-2018/NbL Nb_OH_OOH_LSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
Results 1-10 of 130 (Search time: 0.0 seconds).