Physical chemistry
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- Solid-state NMR methods to investigate biomolecular condensates, protein phase transition, phase separation and coacervates
- Ultra-high-field solid-state NMR of intact Saccharomyces cerevisiae cells at 1.2 GHz
- Optical Emission Spectroscopy Applied to Plasma Magnetron Sputtering Metallic Deposition Onto Liquid at Low Pressure
- Does consulting open online educational resources to prepare for laboratory learning affect students’ perception of their experimental self-efficacy and chemistry laboratory anxiety?
- A convergent fourfold hydrogen-bonding network controls a remote metal centre
- Ion-pair complexes of oxidorhenate(v) with phenolate–oxazoline ligands: synthesis, solvatochromism and catalytic properties
- Augmenting Middle‐Down Sequence Coverage With Trapped Ion Mobility Spectrometry
- A reversible indole-based colorimetric chemosensor for Cu²⁺: implications for smartphone-integrated sensing, logic gate experiments, environmental and biological applications.
- Continuous Representation Theory of the Hierarchical Equations of Motion
- Where the Error Lives: Spectral Representations of Learned Kohn-Sham Hamiltonians
- On-the-fly Estimation of Quantum-Corrected Thermodynamics in LAMMPS
- StudDFT: A quantum chemistry program for educational and research purposes
- Multireference Second-Order Perturbation Theories Based on Iterative Configuration Interaction with Selection
- Machine Learning Hamiltonians with Polarizations for Heterogeneous Systems
- Where Does the Anion-Redox Hole Go? Reliability of Open-Shell Projection-Based Embedding for Li-Rich Cathodes, from DFT Environments to Quantum Solvers
- Integer electron-count cuts in variational second-order reduced-density-matrix theory. I. Molecular dissociation with fixed real-space and orbital partitions
- Human Language Shapes the Emerging Physical Reasoning in Large Language Models
- Improved Hot Line Lists for Minor CN Isotopologues in the X ² Σ ⁺ , A ² Π, and B ² Σ ⁺ Systems Using Diagonal Born–Oppenheimer Corrections
- Angle-tunable air-gap Fabry–Pérot cavities for inline spectroscopy and hyperspectral imaging
- Density dependence of retrieved self-broadened CO2 line intensities from requantized molecular dynamics simulations
- New experimental measurements of the H2-CO2 Collision-Induced Absorption in the [3907-4770] cm−1 spectral range from 241 to 498 K
- Deuteration favours the polymorph with shorter O-H bonds: a stretch-bend rule tested across 220 inorganic polymorph pairs
- Bath-to-System Timescale Dependence of Bloch−Redfield−HEOM Corrections in a DASA Photoswitch
- Investigating the Role of Ligand Hydrophobicity and Ionization on Protein Retention in Mixed-Mode Chromatography
- Defining Chemical Space Constructively