Physical chemistry
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- Learning Electron Density with Virtual Atoms for Transferable Atomistic Representations
- Quadrature-detected zero-to-ultralow-field nuclear magnetic resonance
- Insights into the Protonation State and Counterion Interactions of Linear Polyethyleneimine Materials.
- Mass Spectrometry-Based Omics: An Integrated Framework for Analytical Quality, Data Integrity, and Biological Interpretation
- Design of π-Conjugated Donor-Bridge-Acceptor Radicals for Molecular Qudit Applications
- Double-network silica–polyacrylamide composite aerogels with enhanced mechanical integrity and multifunctional adsorption performance
- Mn--Cr dopant association in dilute co-doped ZnAl2O4 revealed by combined EPR and optical spectroscopy
- UGME: A python package for non-Markovian protein folding dynamics
- Precursor stoichiometry controls dopant structure, defect chemistry, and valence in Mn-doped ZnGa2O4 nanocrystals
- DISSOLVR: An Interpretable and Fast Framework for Aqueous and Organic Solubility Prediction
- Spin Migration in the Argon Dimer
- Accuracy of Vibrational Properties of Machine-Learning Force Fields for Molecular Crystal Transformations
- Electron-Density-Informed Molecular Property Prediction Using Surrogate Functionals
- Unveiling the Influence of Graphitic Nanocarbon Structures, Defects, and Surface Functional Groups on Supercapacitive Performance in LiTFSI Electrolyte
- Quantum dynamics of an ion in an RF quadrupole trap with weak octupolar anharmonicity
- Quantitative modeling of acid-base equilibria
- NucleoNet: A Nuclear-Aware Determinant Ansatz for Multi-Geometry Neural Variational Monte Carlo
- All-electron RT-TDDFT with Exact Exchange based on Numeric Atom-centered Orbitals for Condensed Matter
- Integrated Top-Down Proteomics for Comprehensive Proteome Analysis at the Proteoform Level.
- H-Rubies, a new family of red emitting fluorescent pH sensors for living cells
- Rotational excitation of singly and doubly deuterated formaldehyde induced by collisions with molecular hydrogen
- Structure and dynamics of the radical cation of ethane arising from the Jahn–Teller and pseudo-Jahn–Teller effects
- Chirped-pulse millimetre-wave spectrometer for the 140–180 GHz region
- High-resolution spectroscopic study of the H2O–CO2 van der Waals complex in the 2OH overtone range
- Design and characteristics of a cavity-enhanced Fourier-transform spectrometer based on a supercontinuum source