General chemistry
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- A Latent Ability Model for Benchmarking Molecular Representations
- Pocket and ligand embeddings for 72,199 protein–ligand complexes from the Protein Data Bank
- Correlation-Energy Extrapolation within Shell-Nested Virtual Spaces
- Closed-loop formulation–process optimization under unknown feasibility for extended-release pellets
- Decision Framework for Polymer Composite Linings in Trenchless Renewal: Integrating Materials Durability, Operational Performance, Application Quality, and Environmental Sustainability
- EnGOAT: An Energy–Geometry Analysis Toolkit for Free-Energy Surfaces of Mobile Species in Crystalline Materials
- From Boron Flatland to 3D Pharmacophore Space: Tacn-Supported Boronium Cage Cations
- Sensitivities of a simulated Arctic stratocumulus to aerosol and microphysical parameters
- Fruit Quality of Tomato Plants Grown under Deficit Irrigation and Treated with Nano-Oxides, Mineral Salts, and Bioinoculants
- Steering interfacial molecular structures by substrate-molecule charge transfer.
- Membrane deformation supports ion conduction by the star of David [2]catenane
- Inducing p-type conductivity and NIR activity of oxygen doped g-C3N4 porous micro-rods for elevated photocatalytic H2O2 production
- Cyclization of 2‐Acyl‐3‐Haloindoles With Hydrazine: Unexpectedly Facile Formation of [1,2,3]Triazolo[1,5‐ a ]Indoles. An Experimental and Computational Study
- Evaluation of turbulence models for transitional-regime flows in a stirred tank equipped with a wide-blade hydrofoil
- Mousses d’huiles végétales : des mécanismes de stabilisation aux applications alimentaires
- Public comment evaluation with large language models as a window into pathways towards social license to operate for mining companies
- Photoinduced Ligand Exchange and Photoluminescence Dynamics in Tungsten Carbonyl Complexes
- From β-AlF3 to Amorphous Aluminium Chlorofluoride (ACF) Models: A First-Principles Study
- Effect of TaC additions on the oxidation behaviour of ZrB2-SiC-AlN ultra-high temperature ceramics at 1600 °C
- CeO2 as a novel additive for enhancing the oxidation resistance of ZrB2–SiC ultra-high temperature ceramics: role of Ce-mediated ZrSiO4 formation
- The Liquid Structure of Ethyl Acetate and the Origin of Its Volatility
- Doping-Induced Electronic Dimensional Crossover and Anisotropic Thermopower in Conducting Polymers
- TDEaseNexus: A Traceable, Open-Source AI Agent Platform for Top-Down Proteomics Data Analysis
- Design, dual gelation mechanisms, and bioactive properties of fatty acid esters derived from C-1-oxidized maltose and dextrin
- Donor-Acceptor co-assembly of twisted 1,8-difunctionalized carbazole and naphthalenediimide