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Computational studies for the description of electronic and optical properties for photocatalysis in Metal Organic Frameworks

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Computational studies for the description of electronic and optical properties for photocatalysis in Metal Organic Frameworks

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Nanogels with Metal‐Organic Cages as Functional Crosslinks

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Engineering Frustrated Lewis Pair Active Sites in Porous Organic Scaffolds for Catalytic CO2 Hydrogenation

Microstructure - Electrochemical Surface Reactivity Relationship of Electrochemically Grown Manganese Oxides Films

Stability and degradation of (oxy)nitride photocatalysts for solar water splitting

Computational Studies on the Stability of Organic-Inorganic Hybrid Halide Lead Perovskites

Modeling, design and economics of PEC devices

Orbital-Resolved DFT plus U for Molecules and Solids

In Search of Covalent Organic Framework Photocatalysts: A DFT-Based Screening Approach

A Simple, Transition Metal Catalyst-Free Method for the Design of Complex Organic Building Blocks Used to Construct Porous Metal-Organic Frameworks

Metal-Free Molecular Catalysts for the Oxygen Reduction Reaction: Electron Affinity as an Activity Descriptor

Electro- and photochemical H-2 generation by Co(ii) polypyridyl-based catalysts bearing ortho-substituted pyridines

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Plasmonic Nanostructures for Photocatalysis: Material, Photonic and Electronic Effects

Murunskite - a new class of functional material

Synergistic Integration of a Ru(bda)-Based Catalyst in a Covalent Organic Framework for Enhanced Photocatalytic Water Oxidation

Tuning the reactivity of uranium towards small molecules in multimetallic complexes

Controlling On-Surface Photoactivity: The Impact of π-Conjugation in Anhydride-Functionalized Molecules on a Semiconductor Surface