Physical chemistry
1,558 studies92 in 7 days558 in 30 days
Filters
Latest
1,558 studies
- High-Multiplex Proteomics: Analytical Trade-Offs and a Practical Selection Framework for Emerging Platforms.
- Probing electrochemical phenomena in commercial pouch cells using a multimodal magnetic resonance approach
- Acoustic-assisted HDX-MS for Intact Virion Analysis
- Mean First-Passage-Time-Directed Bias Optimization with Gaussian-Kernel Markov Models
- Minor Structural Differences Tune Functional Specialization of Antenna Subunits in the PSII Energy Transfer Network
- A partially linearized mapping approach to surface hopping (MASH-PLDM) for nonadiabatic dynamics and nonlinear spectroscopy
- Improving the Stability of the Hierarchical Equations of Motion for Open Quantum Systems with Strong Coupling to Structured Bosonic Baths
- Non-equilibrium cavity pumping of electronic molecular polaritons
- A Unified Rational-Function Approximation for Square-Well, Square-Shoulder, and Nonadditive Hard-Sphere Mixtures
- Interactions and dynamics of metastable triplet-state helium dimer with Ne and Ar
- Symmetry-Aware Flow Matching for End-to-end Molecular Crystal Generation
- Curvature-Aware Flow Matching for Molecular Structure Generation
- Machine-learned Laplacian-level density functional from exact exchange-correlation potentials and energies
- Native implementation of the machine-learned Skala exchange-correlation functional in CP2K: Unified one-centre reconstruction for molecular and condensed-phase calculations
- Molecular Implementation of the Machine-Learned Skala Exchange-Correlation Functional in CP2K through GauXC
- RuNNer 2.0: A Software Suite for High-Dimensional Neural Network Potentials
- Higher-Order Geometric Updates for Levenberg-Marquardt Method via Riemann Normal Coordinates
- Pushing the accuracy of on-top functionals with agent-driven supervised learning
- Non-covalent interactions and reactivity of sulfur-rich birhodanine-based acceptors
- Experimental and numerical study of shock wave propagation in water generated by pulsed arc electrohydraulic discharges
- Riboflavin-sensitized UVA collagen crosslinking produced a controllable, dose-dependent increase in the nanomechanical strength of ex vivo bovine dura mater
- Parahydrogen-induced 15N polarization of nitrate ion
- A Simple Model to Predict Complex Coacervation: Forces as Drivers of Phase Change and Structuration
- Revisiting Artifact Suppression in Electrospray Ionization Deconvolution
- Rapid chromatography combined with trapped ion mobility mass spectrometry for analysis of derivatized small molecules