Physical chemistry
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- From Single Injection to Dual Insights: Integrating EAD and CID Acquisition for Spectral Library Generation and EAD-CID Spectral Matching.
- Refined Mapping of Endothelial Cells, Brain Pericytes and Astrocytes Proteomes via Subcellular Fractionation and DDA Mass Spectrometry
- Thermal Evolution of Silicon and Fluorine Species in Fluorosilane-Modified Carbon Aerogel Composites
- Mechanochemical conglomerate formation by ball milling - or not?
- Distinguishing Pharmaceutical Salts and Cocrystals by Fluorescence Lifetime Mapping and Quantum Crystallography
- Alternative Equations and 'Pseudo-statistical' Approaches that Enhance the Precision of Initial Rates for the Determination of Kinetic Parameters
- Quantum oblique eigenprojection
- Computational Insights into Mechanostability and Dissociation Dynamics of the Dengue Virus Envelope Protein Ectodomain Dimer Across pH and Temperature Gradients
- Fluctuation-induced ionic friction at solid-electrolyte interfaces
- Smite: A quasiclassical trajectory (QCT) program for bimolecular collisions and unimolecular dynamics on ab-initio, and machine-learned potential energy surfaces
- Nuclear moments, charge radii, and magnetization distribution parameters of Ag isotopes from laser spectroscopy and \textit{ab initio} electronic-structure calculations
- Smart Machine Learning for Solving the Full Electron-Nuclear Schrödinger Equation with a Quantum-Chemically Inspired Wavefunction Ansatz
- MyTm: An Automated Melting Temperature Calculation Toolkit
- From Wavefunction Regularity to Eigenvector Conditioning: Accuracy--Cost Trade-offs of Quantum Algorithms for Non-Hermitian Transcorrelated Hamiltonians
- Elasticity of polycrystalline davemaoite constrains its grain size in the lower mantle
- Autocata: Reaction-network-guided autonomous catalyst screening via capability-centric AI
- An atom-based machine-learned dipole-moment model and application to conjugated systems
- A Visual Understanding of Circular Dichroism Spectroscopy: The Case of Interacting Chromophores
- Nuclear quantum effects enhance diffusion in supercooled ammonia through accelerated pyramidal inversion
- Anomalous pressure-dependent viscosity of basaltic melts and its role in asthenosphere melt accumulation
- Quantifying Teleportation Overhead in Distributed Unitary Coupled-Cluster Ansätze
- Efficient measurement schemes for the Monte Carlo projective quantum eigensolver
- Molecular Mapping of Atherosclerotic Plaques with MALDI Mass Spectrometry Imaging
- A Novel Boranil-Based Colorimetric and Fluorescence Quenching Probe for Selective Detection and Bioimaging of the Fe3+ ion
- Theoretical Assessment of Magneto-Chiral Dichroism in a Chiral Ytterbium(III) Complex