Physical chemistry
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- Rovibrational dynamics in strongly-coupled gas-phase methane
- Water-Driven Porous Silicon as a Platform for Blue Materials
- Accurate Atomic Correlation Energies and Virial Trends for Correlation-Consistent Effective Core Potentials III: Quantitative Separation of Fixed-Node Biases and Localization Errors in Cs-Rn
- Microphase Separation and Ionic Aggregation in Oppositely Charged End-Functionalized Polymer Blends
- Vertical ionization energies from inverse generalized Kohn-Sham calculations at fixed electron density
- Solar photocatalytic disinfection of well water using immobilized TiO2: A comparative field study with SODIS in Antananarivo
- Protocol for integrated phosphoproteomic and proteomic analysis of the mouse ventral tegmental area with functional and kinase motif enrichment.
- Spatially resolving isomeric trisaccharides on surfaces with Orbitrap-SIMS
- Accounting for longitudinal peak quality metrics with MSstats+ enhances differential analysis in proteomic experiments with data-independent acquisition
- Shape-Constrained Bayesian Active Learning of Self-Limiting Saturation Curves
- Analysis of Transient Microscopy Data in Reciprocal Space
- Geometry-Dependent Electronic Coupling and Singlet Fission Pathways in Carotenoid Dimers
- Vibro-polaritonic Raman spectroscopy via cavity Born-Oppenheimer perturbation theory
- Single-electron fluorine bonding. II. Benchmarking Minnesota density functional approximations and popular ab initio methods for binding energies (BEs) and F-bond distances
- Isomer-resolved ion-molecule reaction kinetics of HCO+ and HOC+
- Electrochemical Molecular Dynamics within the Finite-Field Framework
- Permutationally Invariant Polynomial Descriptors as Colored Multigraphs
- Diffusion-controlled reactions with time-dependent surface reactivity
- Low-Cost Third-order Algebraic Diagrammatic Construction Method for Excited States Using Tensor Hypercontraction and State-Specific Frozen Natural Orbitals
- Programming the Nonlinear Optics of a Nanoporous Photonic Metamaterial by Confined Crystallization
- Learning the information contained in the microstructure of data distributions
- Tersoff-NN: Hybrid Machine-Learned Bond-Order Extension of the Tersoff Potential
- Proposed Method for Mass Spectrometric Measurement of the Gonadotropin-Releasing Hormone Agonist Deslorelin.
- A Riemannian Framework for Chemical Reaction Dynamics: Geodesics, Curvature, and Transition-State Stability
- Methane monitoring in faecal headspace gas using mid-IR laser spectroscopy with a hollow waveguide gas cell