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A novel magnetic nanocatalyst has been developed by covalently attaching a palladium complex (AP-Pd) to magnetic Fe3O4 particles, which were coated with a silic...
Ten halogenated benzofuran derivatives (BF1–BF10) were synthesized and evaluated for their inhibitory activity against monoamine oxidase isoforms. All compoun...
Though it's a toxic chemical, hydrogen cyanide (HCN) is also important for the development of life. It's a precursor to things like amino acids and nucleic acid...
Abstract page for arXiv paper 2606.00666: Manifold Diffusion for Structure Generation of Transition Metal Complexes
Abstract page for arXiv paper 2606.00794: Benchmark Dataset for Catalysis on 2D MXenes
Abstract page for arXiv paper 2605.31418: Optimization of multisite reactions in complex compartmentalized media
Abstract page for arXiv paper 2605.30743: A Padding Method for Enhanced Encoding of Inorganic Structures with Varying Chemical Compositions
Abstract page for arXiv paper 2605.31091: Metamorphoses of carbon and oxygen in protoplanetary discs: how chemistry and radial drift transform inner disc C/O ra...
Abstract page for arXiv paper 2605.31571: All-Electron Relativistic Fully Self-Consistent $GW$ Study of Heteronuclear Actinide-Containing Diatomics
Abstract page for arXiv paper 2605.31139: Shallow Electronic State Preparation for Quantum Chemistry with Quantum Monte Carlo Pre-Selection
Abstract page for arXiv paper 2605.31188: Thermal chemical reactivity in Frenkel exciton-polariton cavities
Matrix metalloproteinase-9 (MMP-9) plays a crucial role in cancer cell invasion, metastasis, and tumor growth. However, the precise and sensitive detection
Abstract page for arXiv paper 2605.29622: MōLe-Λ: Learning the Coupled-Cluster Response State for Energies, Gradients, and Properties
Abstract page for arXiv paper 2605.29698: A Systematic Evaluation of Molecular Mixture Behavior Prediction
Abstract page for arXiv paper 2605.29329: Mixing Vector Model for Copolymer Inference via Mixed Integer Linear Programming
Abstract page for arXiv paper 2605.28862: Molecular Lead Optimization via Agentic Tool Planning
Propylene production from propane faces persistent catalytic limitations. Now, an unusual form of subnanometre platinum–tin clusters confined within zeolite p...
The [4 + 2] cycloaddition involving 2,5-bis(hydroxymethyl)furan (BHMF) and N-substituted maleimides constitutes an efficient synthetic strategy
In this study, novel metal-organic frameworks (MOFs) were synthesized using functionalized polyols as organic ligands. Polyvinyl alcohol (PVA) and hyperbranched...
Mechanochemistry offers a route for converting metal oxides directly into metal organic frameworks (MOFs), ensuring maximal atomic utilization. Here, we have ad...
Complex organic molecules (COMS) are at the heart of life. They're created where jets from protostars slam into the interstellar medium, environments that scien...