General chemistry
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- Unveiling Surface Reaction Networks in Biomass-Derived Compound Upgrading
- Runtime-steered ultrashort molecular dynamics enables million-pose protein–ligand screening
- SALTED: a symmetry-adapted machine-learning program for predicting electron-densities in molecules and materials
- Platinum occurs as α-PtO2 nanoparticles in deep-sea ferromanganese deposits
- Comprehensive analysis of PM10 in the metropolitan area of São Paulo – Part I: Chemical characterisation and source apportionment
- Optimization of pyrazolopyridine derivatives for the treatment of human African trypanosomiasis
- Reactivity Over Recognition: Covalent Screening of Natural Products against Falcipain-2 and Falcipain-3
- Machine Learning for High-Throughput Reaction Yield Prediction in DNA-Encoded Library Synthesis
- TAME: Element-wise Mixture-of-Experts Fusion for Data-Efficient and Interpretable Molecular Property Prediction
- A Generalized Theory for the Structural and Spatial Mapping of Energy, Entropy, and Free Energy
- Simulating Chemical Reaction Dynamics Using Sample Based Quantum Diagonalization: A Quantum-Centric Supercomputing Approach
- Zinc Redox Catalysis in the Photochemical Borylation of Fluorocarbons
- Emzing: A deep learning-enabled software suite for end-to-end analysis of high-resolution LC-MS metabolomics data
- Transport Cross Sections and Collisional Energy Relaxation of Superthermal O(3P) Atoms in N2 for Planetary Aeronomy
- IQARIS: An Atlas of Interacting Quantum Atoms across Chemical Space
- One minute ultrasound-assisted gold and platinum-decorated ZnO photocatalyst for ibuprofen degradation
- Evaluation of α-V2O5 lithium ion battery cathode performance by means of cavity microelectrode: Effect of the particle size
- Adsorption of Cobalt onto Microplastics in Riverine Mesocosms: Influence of Biofilm Development
- Encapsulation of biocontrol agents in alginate hydrogels: A strategy for enhanced stability and release
- Graph attention framework for site-selectivity prediction in undirected C(sp3)–H borylation
- Reconciling visible emission intensity and ON/OFF commutation ratio in photochromic lanthanide complexes of europium(III) and samarium(III).
- Sn Speciation and Spectroscopic Signatures of Sn(II) Sites in Alumina-Supported PtSn Propane Dehydrogenation Catalysts
- Artificially intelligent modeling of macromolecular assemblies
- Catch-and-Release of Molybdate [MoO4] 2– by a Synthetic “Molybdophore” Host.
- Electrochemical Proton-Coupled Electron Transfer Free Energy Surfaces from Ab Initio Molecular Dynamics