General chemistry
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- Operational insights from the front lines of OpenADMET: lessons from our blind challenges
- Water Layering and Orientation Modulate Lanthanide Hydration in Carbon Nanotubes
- MPID Polarizable Force Field: GPU Implementation and Biomolecular Simulations
- CO2 Electrosorption: Electric Field Effect on the Metal–CO2 Interfacial Dipole
- When Is a Molecule a Duplicate? Identity Policy Determines What a Benchmark Audit Finds
- Active control of crystal nucleation and growth using operando X-ray imaging
- Glycerol conversion to acetol catalyzed by aluminum-free Zr-beta zeolite: high selectivity and coke tolerance
- Ligand‐Dependent Locally Excited and Charge‐Transfer Emission in Linear Copper(I) Mesoionic Carbene Luminophores
- Detection of tea polyphenols based on a taper-in-taper infrared fiber sensor
- Hybrid Physics–Diagnostic Estimation of Liquid Loading for Wet-Gas Flowmeter Correction: A Model-Based Uncertainty Framework
- Failure-Mode-Driven Methodology to Unravel Interfacial Chemical Bonding in Laser-Welded Polyamide-6.6–Titanium Interfaces
- There is Room in the Middle: Unidirectional Energy Transfer in Plasmonic Nanohybrids through Intermediate Coherence
- Artificial Intelligence-Assisted Dopant Discovery toward Air-Stable Sulfide Solid-State Electrolytes
- Enhancing Aromatics Production in Zeolite-Catalyzed Lignin Pyrolysis by Establishing Structure-Acidity-Performance Relationships
- Excitation-Energy Accuracy Does Not Guarantee Observable Fidelity: Rethinking Validation of Excited-State Quantum Algorithms
- What survives? Semantic eligibility, distribution shift and metric interpretation in external validation of ADMET predictors
- The importance of nanoscale phenomena in electrolyte behavior: acetonitrile-aqueous zinc sulfate electrolytes
- Multiscale Insights into CO2 Chemisorption and Proton Transfer in Choline-Imidazolate based Deep Eutectic solvents: Exploring the Effect of Primary, Secondary and Tertiary Alkanolamine on Reaction Pathways and Product Distribution
- Resolving Positional Markush Structures for Chemical Reaction Extraction
- A computationally efficient pseudo-2D PEM fuel cell model for studying humidity distribution without external humidification: the role of anode recirculation
- Effect of Na substitution on P2−NaxMn2/3Ni1/3O2 cathodes for Na-ion batteries: A DFT study of structural stability, ion mobility and local charge compensation.
- Dynamic Covalent Approaches to Responsive Electropores for Iontronics
- Investigation of α-Silylalcohols as Chiral Umpolung Carbanion Surrogates through Stereospecific 1,2-Brook Rearrangement
- Development of Efficient Blue OLEDs: A Systematic Investigation of the Effect of the Nature of the Host on Exciton Dynamics in Operating TADF Devices
- Comparative Study of Y2O3, ZnO, and CeO2 Additions to Magnesium Aluminosilicate Glasses: Composition–Structure–Property Relationships