General chemistry
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- Late-Stage Functionalization of Hydroxamic Acid Pharmaceuticals through Oxidative C-N Bond Formation
- Development of a Microfluidic Droptode Sensor for Detection of Heparin in Citrated Human Plasma
- A geometry-matched structure generator outperforms basin hopping for silicon cluster global optimisation at fixed relaxation budget
- Global potential of decentralized waste biomass to solid carbon for scalable carbon removal
- Diastereoselective synthesis of glycosyl-1-thiophosphates as reporters for nucleotide diphosphate sugar metabolism
- How Metal-to-Linker Ratio and Concentration Govern the Nucleation Mechanism of MOF-5-inspired Crystals: Insights from Multiscale Modeling
- Temperature Mediated Balance of Singlet Fission and Symmetry-Breaking Charge-Transfer in a Polycrystalline Perylene Bisimide Thin Film
- FROST: certified Hartree–Fock limits of helium and beryllium to hundreds of significant figures
- Thermally Induced Structural Transformation in a Two-Dimensional Conductive Metal-Organic Framework
- Folding and Function as Two Sides of One Coin: Statistical Mechanics, Information Theory, and Deep Learning of Binding, Catalysis, and Allostery in an Exactly Enumerable Lattice Protein
- Volumetric self-assembly of addressable DNA frames
- Exciton Diffusion Drives Efficiency Roll-off in TADF OLEDs
- Thermal expansion of the Martian mineral starkeyite (MgSO4·4H2O) and the effect of synchrotron X-ray radiation damage on its lattice parameters
- Structure – Stability Relationships in Aryl- and Heteroarylmethanesulfonyl Chlorides and Fluorides
- Metal Nanocluster-Based Metal-Organic Frameworks for Catalysis
- Photoinduced C–S Cleavage in Thiols and Oligopeptides to Initiate Controlled Radical Polymerization
- Accuracy, Reliability, and Efficiency of a MACE Machine-Learning Interatomic Potential for Aspirin: A Reproducible Benchmark for Molecular Simulation
- Hybridizing expert descriptors and learned embeddings yields transferable Mat2Vec-* element representations
- Artificial humic acids as model systems for resolving key structural controls on humic acid-metal complexation
- Source-dependent organic aerosol hygroscopicity in eastern China: observational evidence for conditional enhancement under biomass-burning influence
- Hard carbon anodes for sodium-ion batteries: from mechanistic reconciliation, precursor-tailored microstructure regulation to industrial scale-up
- Carbon nanotube and graphene-based nanomaterials for perovskite solar cells
- First-principles and quantum transport investigation of triclinic Mg11Ti25O60 as a high-voltage cathode material for magnesium-ion batteries
- Optimization of the intramolecular cyclization to form the clozapine lactam intermediate under continuous-flow conditions and elucidation of the H2SO4-catalyzed mechanism by DFT
- Structure–property relationships in a graphene oxide-reinforced chitosan–carboxymethylcellulose–alginate composite for wound dressing applications