Physical chemistry
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- Universal Interatomic Potentials as Configuration-Space Generators for One-Shot and Iterative Fine-Tuning of Ab Initio-Accurate Material-Specific Models
- Reactions of U(DMSO)₈(ClO₄)₄ with Terpyridine Yield Dimeric Hydrolysis Products and Induce C-C Coupling
- Preparation and control of electronic wave packets in neutral molecules via attosecond x-ray processes
- Analysis of human chorionic gonadotropin glycoforms by nano-liquid chromatography-mass spectrometry: novel strategies based on mobile phase additive and adduct dissociation
- Variational Polaron Theory for Ground States of Strongly Coupled Light-Matter and Electron-Phonon Systems
- Constraint-Limited Tube Orientation of Entangled Polymers in Oscillatory Shear Deformation
- MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery
- DES Ecoscale: A Quantitative Sustainability Assessment Framework for Deep Eutectic Solvents
- Spatial distribution of the proteome in the human body and in cancers
- Lattice Matching Dictates the Growth Mode and Quality of Deuterium Crystallization in Confined Spherical Shells
- Atomization Index to Bridge the Physicochemical Properties of Polymer–Surfactant Adjuvants and Multivariate Spray Metrics: Guiding Pesticide Formulation Efficient Design
- Leveraging nanoparticle protein corona to advance plasma proteome profiling
- Impact of Electronic Substitution and Planarization on the Photophysical Properties of 2‐(2′‐Hydroxyphenyl)benzoxazole or 2‐(2′‐Hydroxyphenyl)‐Dimethylindole
- Single-Cell Mass Spectrometry Imaging Using Desorption Electrospray Ionization Coupled To Orbitrap Mass Spectrometers
- Quantum tunneling on water. I. General framework for microdroplet redox chemistry
- Bio-based chitosan aerogel composites with multifunctional combination of thermal insulation, sound absorption, flame retardancy, and superhydrophobicity
- Analyzing Initialization Strategies for the Local Unitary Cluster Jastrow Ansatz within the Quantum-Centric Supercomputing Framework
- Fast and accurate simulation of Raman spectra of gold-organic systems
- Integrated top-down and bottom-up proteomics enables precise characterization of proteoforms within the protein corona
- Cryoelastic Organic Crystals
- Pushing the Limits of One-Dimensional NMR Spectroscopy for Automated Structure Elucidation Using Artificial Intelligence
- Designing chiral organic small molecules for circularly polarized light detection via group theory
- The UZH protocol: Separating errors and constructing improved CP2K basis sets and pseudopotentials
- Proteome-wide quantification of inositol pyrophosphate-protein interactions
- Deciphering pH Behavior in Deep Eutectic Solvents: Synergizing Experimental Data and Computational Modeling