0000-0001-8638-9739 Employment
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Publications (9)
- Actinyl Adsorption and Reduction on Pyrite Surfaces: Insights from DFT Calculations Save
- X-ray Magnetic Circular Dichroism Spectra for Uranium Monochalcogenides, UQ (Q = S, Se, and Te) from First Principles Save
- Disproportionation of the Uranyl(V) Coordination Complexes in Aqueous Solution through Outer-Sphere Electron Transfer Save
- Uranyl‐bound tetra‐dentate non‐innocent ligands: Prediction of structure and redox behaviour using density functional theory (DFT) Save
- Density functional theory (DFT) calculations of VI/V reduction potentials of uranyl coordination complexes in non-aqueous solutions Save
- NHC catalyzed green synthesis of functionalized chromones: DFT mechanistic insights and in vitro activities in cancer cells Save
- The basis for reevaluating the reactivity of pyrite surfaces: Spin states and crystal field d-orbital splitting energies of bulk, terrace, edge, and corner Fe(II) ions Save
- Computational Redox Potential Predictions: Applications to Inorganic and Organic Aqueous Complexes, and Complexes Adsorbed to Mineral Surfaces Save
- Investigation of ligand exchange reactions in aqueous uranyl carbonate complexes using computational approaches Save