Physical chemistry
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- Wavenumber-Aware Deep Learning for Robust Analysis of Raman Spectra
- Bounds on Attainable Rate Modulation in Fermi's Golden Rule
- What Rate Theories Compute: Chemical kinetics from Arrhenius to machine-learned potentials
- Near Chemical Accuracy From Size-Consistent Padé Resummed Møller-Plesset Perturbation Theory
- Effects of Pretreatment on the Isotopic Composition of Structural Carbonate in Ray‐Finned Fish Teeth
- Bibliometric Mapping and Research Progress of TOF-SIMS Technology in Biological and Biomedical Research
- Selective Hg2+ Detection Using an Aza-BODIPY-Derived NIR Fluorescence Sensor: Environmental and Biological Applications
- Antifibrinolytic Agent: Synthesis and Characterization of Cocrystal and Salts of Tranexamic Acid
- HF· · ·H2S Hydrogen-Bonded Clusters as a Model for Probing Subtle Cooperative Effects
- mzView : visualizing mass spectrometry data in the browser
- Mediator-Assisted Energy Release Enabled by Positional Isomerism in Norbornadiene/Quadricyclane Systems
- Disclosing the Effect of Activation on the Micro- and Meso-structure of Activated Carbons with SANS and Gas Sorption
- Synergistic ultrasound- and vortex-assisted extraction of lobetyolin from Codonopsis tangshen using a supramolecular ternary deep eutectic solvent: yield optimization and antioxidant activity evaluation
- Decoding the phosphorylation landscape of ITPR3 across calcium signaling and regulatory networks in cancer
- Synthesis, crystal structure, and characterization of a new crystalline berberine–2-sulfobenzoate salt, integrating vibrational spectroscopy and quantum chemical investigation
- Macromolecular association creates dispersity of components that determines liquid–liquid phase separation of oppositely charged polyions
- A super-bulky phosphanide ligand enables the observation of scalar coupling between 31P and 7Li, 23Na, 85Rb/87Rb, and 133Cs†
- Programming intramolecular charge transfer in NDI–pyrene paracyclophanes through distance and linker design
- Concentration-Dependent Speciation in ZnCl2 Electrolyte Solutions: Transferability of Machine-Learning Interatomic Potentials and Speciation Sensitivity of EXAFS
- Synthetic Stochastic Time Series from Generative Models
- QuDPy-FDGF: A Python-Based Tool for Computing Ultrafast Nonlinear Optical Responses Using Frequency Domain Green's Functions
- Automated generation and execution of large-scale semidefinite programs for variational two-electron reduced density matrix theory
- Einstein's theory of Brownian motion: The non-Fickian normal diffusion
- Fixed-Dimensional Latent Flow for Generating Variable-Size 3D Molecules
- Methane and ethane adsorption on calcite surfaces: effects of surface morphology from molecular dynamics and 3D-RISM