General chemistry
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- 氟功能化锆基金属有机框架负载薄膜微萃取阵列用于草甘膦残留的高通量分析 Fluorine-functionalized zirconium-based metal-organic framework immobilized thin film microextraction array for high-throughput analysis of glyphosate residues
- 多孔框架材料用于食品中新污染物的样品前处理研究进展 Recent progress on sample pretreatment methods of emerging pollutants in food based on porous framework materials
- Mitigation corrosion in molten chloride salt NaCl-MgCl₂ through oxoacidity and redox control
- How does spatio-temporal optimisation affect the siting and operation of direct air capture systems?
- VIBE-VIEW and QVF: portable visualization and checksummed archives for quantum chemistry
- TRMC and NEXAFS Reveal Fast Electron Transfer to Ce3+/Oxygen-Vacancy Traps in Non-Covalent CexOy/C3N4 Interface for Photocatalytic H2
- High-Spin Diradical-Dominated Chemiluminescence
- Tension-Limited Leaflet-Asymmetry Budding Predicts the Size and Rate of Tumour Ectosome Shedding
- Reversible Ion Transport Through an Irreversibly Percolating Li ₂ S Interphase at the Li/Li ₆ PS ₅ Cl Interface
- Adaptation of a retrosynthetic tool to project-specific chemistry: oligomer synthesis case study
- Elucidation of the Hematite Direct Reduction Mechanism Using In Situ Spectroscopy
- Copper binding to glucagon and glucagon-like peptide 1: Relevance to diabetes
- StereoAtlas: A Large-Scale Dataset of Chiral Compounds with Distinct Bioactivities Curated from ChEMBL37
- Quantifying the Rate Performance of 3D-Printed LFP Electrodes from Water-Based Inks
- Expanded ensemble predictions of solvent–water partition coefficients for drug-like molecules using OpenFF 2.0 and GAFF 2.1
- Chilean Papaya Bioprospecting for Human α-Glucosidase: Near-Native Pose Recovery in CtMGAM Docking
- Spin states, electronic structure and phonon properties of ZnxFe[Fe(CN)6] (x = 0 – 1) by hybrid density functional theory
- Large language models as collaborators in molecular thermodynamics: a case study of the LLM-assisted development of SAFT-VR IMP, an equation of state for polar fluids
- Efficient Customizable Synthesis Planning with Graph Grammars, with an application to Elastase B inhibitor candidates
- Combined Enhanced Conformational Sampling and Protein-Ligand Dockings on CYP3A4 Improves in Silico Prediction of Drug Metabolism
- From Industrial lignin biomass waste to bio-based organic semiconductors for sustainable electronics: a proof of concept based on Vanillin
- Exact concentration regions for stimulus-switched competitive binding under finite depletion
- Taking Charge Against the Silent Pandemic—Electrochemical Characterization of Drug Resistance
- Effect of the Application of Cold Working on the Aging Response and Mechanical Properties of an Al–4Cu–1.4Mg–0.6Ag Alloy
- Comparative Study of Hydrogen Yield from Organic-Rich Lithologies: Implications for Sustainable Energy