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Molecular reactions at aqueous interfaces
MF Ruiz-Lopez, JS Francisco… - Nature Reviews …, 2020 - nature.com
This Review aims to critically analyse the emerging field of chemical reactivity at aqueous
interfaces. The subject has evolved rapidly since the discovery of the so-called 'on-water …
interfaces. The subject has evolved rapidly since the discovery of the so-called 'on-water …
Dielectric continuum methods for quantum chemistry
JM Herbert - Wiley Interdisciplinary Reviews: Computational …, 2021 - Wiley Online Library
This review describes the theory and implementation of implicit solvation models based on
continuum electrostatics. Within quantum chemistry this formalism is sometimes …
continuum electrostatics. Within quantum chemistry this formalism is sometimes …
Surface stratification determines the interfacial water structure of simple electrolyte solutions
The distribution of ions at the air/water interface plays a decisive role in many natural
processes. Several studies have reported that larger ions tend to be surface-active, implying …
processes. Several studies have reported that larger ions tend to be surface-active, implying …
The Hofmeister series: Specific ion effects in aqueous polymer solutions
Specific ion effects in aqueous polymer solutions have been under active investigation over
the past few decades. The current state-of-the-art research is primarily focused on the …
the past few decades. The current state-of-the-art research is primarily focused on the …
Ion-specific and thermal effects in the stabilization of the gas nanobubble phase in bulk aqueous electrolyte solutions
Ion-stabilized nanobubbles in bulk aqueous solutions of various electrolytes were
investigated. To understand the ion-specific mechanism of nanobubble stabilization, an …
investigated. To understand the ion-specific mechanism of nanobubble stabilization, an …
Toward a first-principles framework for predicting collective properties of electrolytes
Conspectus Given the universal importance of electrolyte solutions, it is natural to expect
that we have a nearly complete understanding of the fundamental properties of these …
that we have a nearly complete understanding of the fundamental properties of these …
Real single ion solvation free energies with quantum mechanical simulation
Single ion solvation free energies are one of the most important properties of electrolyte
solutions and yet there is ongoing debate about what these values are. Only the values for …
solutions and yet there is ongoing debate about what these values are. Only the values for …
Perspectives on weak interactions in complex materials at different length scales
Nanocomposite materials consist of nanometer-sized quantum objects such as atoms,
molecules, voids or nanoparticles embedded in a host material. These quantum objects can …
molecules, voids or nanoparticles embedded in a host material. These quantum objects can …
Electrolytes at uncharged liquid interfaces: Adsorption, potentials, surface tension, and the role of the surfactant monolayer
RI Slavchov, B Peychev, I Minkov - Langmuir, 2024 - ACS Publications
The article summarizes the results of our research on the behavior of ions at uncharged fluid
interfaces, with a focus on moderately to highly concentrated aqueous electrolytes. The ion …
interfaces, with a focus on moderately to highly concentrated aqueous electrolytes. The ion …
Toward a quantitative theory of Hofmeister phenomena: From quantum effects to thermodynamics
Several recent developments have enhanced our understanding of specific ion hydration.
These advances have included the Law of Matching Water Affinities and the realization that …
These advances have included the Law of Matching Water Affinities and the realization that …