NMR Spectroscopy and Multiscale Modeling Shed Light on Ion–Solvent Interactions and Ion Pairing in Aqueous NaF Solutions
The balance between ion solvation and ion pairing in aqueous solutions modulates
chemical and physical processes from catalysis to protein folding. Yet, despite more than a …
chemical and physical processes from catalysis to protein folding. Yet, despite more than a …
Uncovering the binding nature of thiocyanate in contact ion pairs with lithium ions
Ion pair formation is a fundamental molecular process that occurs in a wide variety of
systems, including electrolytes, biological systems, and materials. In solution, the …
systems, including electrolytes, biological systems, and materials. In solution, the …
Vibrational Self-Consistent Field (VSCF) and Post-VSCF Method Calculations Combined with the Reference Interaction Site Model Self-Consistent Field Method …
K Suda, D Yokogawa - Journal of Chemical Theory and …, 2024 - ACS Publications
Investigating vibrational behavior in solution is crucial for understanding molecular
dynamics within a solvent environment. Notably, the analysis of Raman spectra for …
dynamics within a solvent environment. Notably, the analysis of Raman spectra for …
Variation of Surface Propensity of Halides with Droplet Size and Temperature: The Planar Interface Limit
The radial number density profiles of halide and alkali ions in aqueous clusters with
equimolar radius≲ 1.4 nm, which correspond to≲ 255 H2O molecules, have been …
equimolar radius≲ 1.4 nm, which correspond to≲ 255 H2O molecules, have been …
Co–HOAT Complexes Change Their Antibacterial and Physicochemical Properties with Morphological Evolution
X Xu, M Ding, S Yu, F Lv, Y Zhang, Y Miao, Z Bian, H Li - Catalysts, 2024 - mdpi.com
Antibacterial coordination compounds have attracted tremendous attention ascribed to their
excellent designability. However, how the morphological evolution of these complexes …
excellent designability. However, how the morphological evolution of these complexes …
Monte Carlo simulation study of the structure of calcium and potassium chlorides ternary solutions
A Rjiba, SE Hog, S Bouazizi, J Jelassi… - … and Chemistry of …, 2025 - Taylor & Francis
Monte Carlo simulations were conducted on pure water and aqueous calciumand potassium
chloride ternary solutions at different salts concentrations. To assess the local order within …
chloride ternary solutions at different salts concentrations. To assess the local order within …
Multi-Analyte Concentration Analysis of Marine Samples through Regression-Based Machine Learning
Marine systems are incredibly chemically complex. An understanding of the chemical
compounds that make up the chemical diversity in marine samples is critical to …
compounds that make up the chemical diversity in marine samples is critical to …
Exploring Complex Chemical Environments of Ocean Worlds Through Machine Learning
NM North - 2024 - search.proquest.com
Ocean worlds are defined as bodies throughout the solar system that are known or theorized
to contain a large amount of liquid water. Most notably, Earth is an ocean world. Additionally …
to contain a large amount of liquid water. Most notably, Earth is an ocean world. Additionally …
The variation of surface propensity of halides with droplet size and temperature; Are the driving forces for the surface propensity of halides the same in planar interface …
Relative to a planar interface, nanodroplets are characterized by substantial mass density
gradients between the interior and the surface regions and different forces when a sole ion …
gradients between the interior and the surface regions and different forces when a sole ion …
果蔬类多孔介质干燥传质过程的分子动力学模拟.
赵哲, 袁越锦, **林凤, 徐英英… - Transactions of the …, 2023 - search.ebscohost.com
果蔬类多孔介质内部水中溶解有大量的营养物质(溶质), 在干燥过程中溶质的迁移与湿分的传递
同时进行, 其内部微孔内的干燥传质机理尚不明确. 为了揭示果蔬类多孔介质干燥过程中内部 …
同时进行, 其内部微孔内的干燥传质机理尚不明确. 为了揭示果蔬类多孔介质干燥过程中内部 …