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cp2k: atomistic simulations of condensed matter systems
cp2k has become a versatile open‐source tool for the simulation of complex systems on the
nanometer scale. It allows for sampling and exploring potential energy surfaces that can be …
nanometer scale. It allows for sampling and exploring potential energy surfaces that can be …
Protons and hydroxide ions in aqueous systems
Understanding the structure and dynamics of water's constituent ions, proton and hydroxide,
has been a subject of numerous experimental and theoretical studies over the last century …
has been a subject of numerous experimental and theoretical studies over the last century …
The role of charge in microdroplet redox chemistry
In charged water microdroplets, which occur in nature or in the lab upon ultrasonication or in
electrospray processes, the thermodynamics for reactive chemistry can be dramatically …
electrospray processes, the thermodynamics for reactive chemistry can be dramatically …
Electrostatics and chemical reactivity at the air–water interface
MTC Martins-Costa, MF Ruiz-López - Journal of the American …, 2023 - ACS Publications
It has been recently discovered that chemical reactions at aqueous interfaces can be orders
of magnitude faster compared to conventional bulk phase reactions, but despite its wide …
of magnitude faster compared to conventional bulk phase reactions, but despite its wide …
How the acidity of water droplets and films is controlled by the air–water interface
Acidity is a key determinant of chemical reactivity in atmospheric aqueous aerosols and
water microdroplets used for catalysis. However, many fundamental questions about these …
water microdroplets used for catalysis. However, many fundamental questions about these …
How liquids charge the superhydrophobic surfaces
Liquid-solid contact electrification (CE) is essential to diverse applications. Exploiting its full
implementation requires an in-depth understanding and fine-grained control of charge …
implementation requires an in-depth understanding and fine-grained control of charge …
Aqueous basic solutions: hydroxide solvation, structural diffusion, and comparison to the hydrated proton
Many hydrogen-bonded liquids, molecular solids, and lowdimensional systems support
anomalous diffusion mechanisms of topological charge defects created by the addition or …
anomalous diffusion mechanisms of topological charge defects created by the addition or …
How bulk nanobubbles are stable over a wide range of temperatures
Hypothesis Bulk nanobubbles are nanoscopic gaseous domains in an aqueous solution.
Their surprising long-term stability remains controversial due to the widespread assumption …
Their surprising long-term stability remains controversial due to the widespread assumption …
Electrification at water–hydrophobe interfaces
The mechanisms leading to the electrification of water when it comes in contact with
hydrophobic surfaces remains a research frontier in chemical science. A clear …
hydrophobic surfaces remains a research frontier in chemical science. A clear …
Perspective: Water cluster mediated atmospheric chemistry
V Vaida - The Journal of chemical physics, 2011 - pubs.aip.org
The importance of water in atmospheric and environmental chemistry initiated recent studies
with results documenting catalysis, suppression and anti-catalysis of thermal and …
with results documenting catalysis, suppression and anti-catalysis of thermal and …