General chemistry
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- AqSol-Blend: A CPU-Trained Descriptor Ensemble for Aqueous Solubility Prediction
- Dataset-level reliability and quality control for metallurgical data structured with large language models
- TS Second Opinion: catching, repairing and triaging mirror-image errors in machine-learned transition states
- Systematic Exploration of the Gd–Os–Ge Ternary System with Magnetic and Transport Property Studies of Highly-Disordered Quasiskutterudite Gd3.4Os4Ge12.6
- ROLE OF HETEROCYCLIC SCAFFOLDS IN MODERN DRUG DESIGN: STRUCTURE–ACTIVITY RELATIONSHIPS, THERAPEUTIC APPLICATIONS AND EMERGING COMPUTATIONAL APPROACHES
- LiteratureAgent: Linking Perovskite Literature to Database Expansion, Knowledge Graphs, and Predictive Modeling
- XinPilot: a chemist-designed open‑source desktop workspace for traceable high-throughput synthesis and purity analysis
- Detection of Tiludronic Acid in Equine Hair and Its Segmental Analysis Following Administration
- Enhanced Quantum Simulations Reveal Conformation-Controlled, Site-Resolved Proton Binding in Biliverdin
- Plasma-Enhanced Atomic Layer Deposition and Substrate Engineering of Low-Resistivity Ultrathin MoCx Films for Advanced Interconnect Applications
- Air pollution sensing to urban air quality insight: review of spatially interpolated data products from sensor networks
- Ensemble of ∆-ML Models for Quantum Chemistry Level of Theory Selection for Interaction Energies
- Can Two Metals Be Chosen Independently for Electrochemical C–N Coupling?
- Brewing Coffee in Ethanol Instead of Water: A Multi-Technique Pilot Study
- Making Complete-Basis-Set Extrapolation Visible: A Spreadsheet-Based Activity for Upper-Division Computational Chemistry
- Probing the dimensionality of confinement in soft nanoreactors through plasmonic nanoparticles nucleation
- Deposit optics, film thickness and acquisition date confound Raman spectra of dried droplets
- Ligand-Length Asymmetry Controls Nanoscale Heat Flow in Gold Janus Nanorods
- Emergence of Glass-like Thermal Transport through Anion-Engineering in Complex Silver Gallium Germanium Chalcogenides
- Opposite Effects of Removing Ethylene Carbonate from the Electrolyte on Ni-Rich Layered Oxide and Mn-Rich Olivine Phosphate Cathodes
- Patent Landscape of Gemini (Dimeric) Surfactants: Cationic Dominance in Intellectual Property versus the Emerging Green Surfactant Narrative
- Radical‑Mediated Formal Anti‑Markovnikov Hydroalkenylation of Unactivated Alkenes Enabled by a Functional Alkenyl‑Radical Surrogate Strategy
- Tetrathiafulvalene-Based Molecular Qubit Frameworks with Room-Temperature Quantum Coherence
- Regioselective sugar epimerization to rare sugar on ruthenium surface
- Revealing Phase-Controlled Surface Structure in PtNi Nanocatalysts via In-situ Gas Cell Transmission Electron Microscopy