Physical chemistry
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- Low-rank approximation of Moment Tensor Potential enables reducing training set size without loss of accuracy
- Near-deterministic loading of molecular arrays by microwave-assisted collisions
- Tunable state-dependent interactions in collisionally stable mixtures of polar molecules
- Excited-state Properties Beyond the Excitation Energy from Orbital-Optimized Density Functional Calculations II: Absorption Spectra
- Excited-state Properties Beyond the Excitation Energy from Orbital-Optimized Density Functional Calculations I: Dipole Moments of Rydberg States
- Gel-Chemistry-Controlled Heavy-Metal Transport and Retention in Cementitious Gel Nanopores: A Molecular Dynamics Study
- Sample Preparation and Homology-Driven Search Shape the First Holobiont Proteome of the Marine Sponge Viles ophiraphidites (formerly Topsentia ophiraphidites)
- TransPepMS: A Tool to Verify Peptides Absent from Reference Proteomes
- Making the Impossible Possible: Uniting TMT and DIA for Scalable Low-Input-Proteomics
- High-fidelity bispecific protease KRysin for deeper plasma proteomics and phosphoproteomics
- Structural and conformational trends of silver(i) and iodine(i) complexes of 3-substituted pyridines.
- Evaluating the coherence and time-domain profile of quantum cascade laser frequency combs: status and perspectives: publisher’s note
- Moving NMR infrastructures to remote access capabilities
- Unified Mechanistic Insights into Hydrogen Evolution and Oxidation from Homogeneous to Heterogeneous Molecular Electrocatalysis
- Fast temperature up steps as a test of the Tool–Narayanaswamy formalism
- Heteroatom–connectivity engineering of benzofused oligomers for hydrogen fluoride capture
- Multi‑PTM landscape of four lysine acylations at shared residues in oral squamous cell carcinoma
- The Ferenczy Dataset Revisited: How HIV Protease Inhibitors Created an Illusion of Universal Size Dependence in Ligand Binding
- Classical 1H NMR correlation rules as diagnostic tests: likelihood ratios from 168,211 experimental spectra
- Fast Liquid Chromatography for Real-Time Process Monitoring of Chemical Reactions in Batch and Flow
- Counterexamples to the total-current Hohenberg-Kohn conjecture
- Ammonia-Hydrogen Phase Equilibria in Planetary Envelopes from First-Principles-Based Machine-Learning Molecular Dynamics
- Decoding Transient X-ray Absorption Spectra of Acetylacetone With Multireference Algebraic Diagrammatic Construction Theory
- Vacuum-Field Squeezing by Molecules in Optical Cavities: An Exact Bound and Linear-Response Theory
- Challenging Atomistic Foundation Models on Disordered Carbons