Physical chemistry
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- Inside Front Cover: Proximity‐Induced Transfer of a Mass Tag Enables Direct Profiling of Active Matrix Metalloproteases (Angew. Chem. Int. Ed. 24/2026)
- Leveraging bioinformatics approaches for drug repositioning in space radiation protection
- High-resolution rotational spectrum analysis of 3-methylthiophene, an atmospheric precursor of sulfur-containing secondary organic aerosols
- Assessing Budding Yeast Phosphoproteome Dynamics in a Time-Resolved Manner using TMT10plex Mass Tag Labeling
- Quinoline-Dependent Electronic Response and Acyl Group Control of Linker Cleavage in a Folded Nitrene Precursor
- Subtle differences in interlayer energetics dictate facet-dependent elastic and plastic flexibility in a molecular crystal
- Use of Gas Chromatography, Nuclear Magnetic Resonance and Fluorescent methods to Estimate Enantiomeric Excess in Asymmetric Transfer Hydrogenation.
- Machine-Learning Models Bypass Charge Computation for Modeling 14N Quadrupolar Relaxation in Ionic Liquids
- Structural characterization of fully chemically modified siRNA with lipid conjugate and divalent architecture
- Encoded and non-genetic protein variants expand the human functional proteome
- Optimising MALDI on PEN substrates for small molecule analysis in the context of same-section multimodal workflows
- Highly Parallel Real-Space Random Phase Approximation Using Lanczos Quadrature and Interpolation
- Site-Selective Functional Group Classification of Auger-Electron Spectra and Core-Electron Binding Energies with Convolutional Neural Networks
- Multi-Task Graph Neural Network Predictions of Auger-Electron and X-ray Photoelectron Spectroscopy
- Real-time nuclear-electronic orbital time-dependent density functional theory with a constrained traveling proton basis
- Toward Predictive Hydride Bond Energetics with Neural-Network Wavefunctions
- Exchange-Correlation Potentials and Energies from Inverse Generalized Kohn-Sham Calculations
- How Accurately Can We Describe Spin Crossover?
- Benchmarking Machine-Learning Interatomic Potentials for Dynamical Stability in Inorganic Semiconductor Nanocrystals: A CdSe Case Study
- Competing Ring-Opening and Hofmann Elimination Pathways in Aqueous TEMPO Catholytes: A First-Principles Study
- Construction of downfolded Hamiltonians from projective transcorrelation
- Rhodamine-derived ratiometric fluorescent molecular rotor for mitochondrial viscosity sensing
- Topological Flame Bifurcation, Aerodynamic Flashback Margins, and Multi-Pathway NOx Scaling in a 3D Swirl-Stabilized 100% Pure Hydrogen Aero-Engine Combustor
- El Agente Potente: High-Throughput Agentic Atomistic Simulations
- Compile-once operation graphs for reusable continuous unitary transformations