Chemistry
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- Transformer-inspired architectures make machine-learned electron densities accurate and transferable enough to bypass self-consistency
- The Diffuse Layer of Thin Cylinders: Beyond the Counterion Condensation Paradigm
- Near-Field Engineering of Silica-Shelled Plasmonic Nanoparticles toward Enhanced Near-Infrared Fluorescence
- Distilling Large-Scale Machine Learning Interatomic Potentials to Predict Long-Timescale Electrolyte Transport Properties
- Development of a Deep Reinforcement Learning Approach for Transition State Search in Molecular Systems: A Transferable Model Across Structural and Dimensional Variations
- A Geometry-Induced Finite Warburg element for Reversible Diffusion Impedance at Microdisk Electrodes
- Reverse Quantum Annealing for Ground-State Energy Calculation in Molecule
- Tuning Thermal Memory and Dissipation in Colloidal Microgel Glasses via Particle Stiffness
- Unravelling carbene moiety role in the N-heterocyclic carbene-phosphinidenes coordination chemistry: bonding and reactivity in gold chemistry
- Solvent-induced memory effects in a model electrolyte
- Machine Learning and Structural Analysis for Generation‐Wise Selection of Perylene Diimide Dendrimers Based on Topological Compatibility With Drug Molecules
- AMIA: an automated workflow for analysing the structural and dynamic effects of protein variants
- Sub-Ambient Fast Magnesium Ionic Conductivity in Diethylamine Magnesium Tetrahydridoborate and Its Crystal Structure
- Species- and Site-Dependent Adsorption of Iodine-Bearing Molecules on Porous Organic Polymer Fragments and Amorphous Graphene
- Nickel Complexes as Artificial Urea Lyases with 1012-Fold Rate Enhancement
- Ab Initio Modeling of Optical Excitations Associated with Intrinsic Defects in a-SiO2
- Interface-Engineered ZIF-8-Derived ZnO@C/Bi/Bi2MoO6 Heterojunctions for Boosting Photo-Fenton-like Performance
- Oxygen Vacancy Formation on Boron-Contaminated Ti-V-Nb Non-Evaporable Getter Surfaces for Fusion Applications and Its Implications for Hydrogen Adsorption
- Nanoparticles Using Lavender and Rosemary Extracts as Reducing Agent: Physicochemical Characterization and Antiproliferative Activity Against Human Cancer Cells
- Room-Temperature CH4 Detection Using PLD-Deposited ZnO/CuO and ZnO/In2O3 Bilayer SAW Sensors
- Synthesis, Surface Engineering, and Emerging Applications of Black Phosphorus Nanosheets
- Near-Unity and Narrowband Light Absorption in Mid-Infrared α-MoO3-Based Metasurfaces
- Steady-State Fluorescence and Excitation–Emission Matrix Analysis of Sunlight-Assisted Silver Nanoparticle Formation Using Cucurbita pepo Peel Extract
- Systematic Investigation into Biochar-Mediated Suppression of Asphalt Rubber Fumes: Inhibition Mechanism, Pollutant Profiles, and Binder Performance
- Molecular Mechanism of Silicone Network Unbinding: Visco-Elastic Modes and Fracture upon Tensile Testing