Show
Sort by
-
- Journal Article
- A1
- open access
Identification of vanadium dopant sites in the metal-organic framework DUT-5(Al)
-
Elucidating the promotional effect of a covalent triazine framework in aerobic oxidation
-
Ti-functionalized NHâ‚‚-MIL-47 : an effective and stable epoxidation catalyst
-
- Journal Article
- A1
- open access
The coordinatively saturated vanadium MIL-47 as a low leaching heterogeneous catalyst in the oxidation of cyclohexene
-
Assessment of periodic and cluster-in-vacuo models for first principles calculation of EPR parameters of paramagnetic defects in crystals: Rh2+ defects in NaCl as case study
-
X- (X = O, S) ions in alkali halide lattices through density functional calculations. 1. Substitutional defect models
-
The Rh-ligand bond: RhX (X = C, N, O, F, P and Cl) molecules
-
X- (X = O, S, Se) ions in alkali halide lattices through density functional calculations. 2. Interstitial defect models
-
Ab initio EPR study of S-3(-) and Se-3(-) defects in alkali halides
-
Study of radical defects in crystalline lattices from first-principles molecular dynamics simulations