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A review on machine learning algorithms for the ionic liquid chemical space
There are thousands of papers published every year investigating the properties and
possible applications of ionic liquids. Industrial use of these exceptional fluids requires …
possible applications of ionic liquids. Industrial use of these exceptional fluids requires …
Ion pairing in ionic liquids
In the present article we briefly review the extensive discussion in literature about the
presence or absence of ion pair-like aggregates in ionic liquids. While some experimental …
presence or absence of ion pair-like aggregates in ionic liquids. While some experimental …
[HTML][HTML] TRAVIS—A free analyzer for trajectories from molecular simulation
TRAVIS (“Trajectory Analyzer and Visualizer”) is a program package for post-processing and
analyzing trajectories from molecular dynamics and Monte Carlo simulations, mostly …
analyzing trajectories from molecular dynamics and Monte Carlo simulations, mostly …
Targeted modifications in ionic liquids–from understanding to design
Ionic liquids are extremely versatile and continue to find new applications in academia as
well as industry. This versatility is rooted in the manifold of possible ion types, ion …
well as industry. This versatility is rooted in the manifold of possible ion types, ion …
Tuning water reduction through controlled nanoconfinement within an organic liquid matrix
The growing hydrogen economy requires accelerating the hydrogen evolution reaction. The
water dissociation step (Volmer step) has been proposed as a main kinetic limitation, but the …
water dissociation step (Volmer step) has been proposed as a main kinetic limitation, but the …
Are there magic compositions in deep eutectic solvents? Effects of composition and water content in choline chloride/ethylene glycol from ab initio molecular dynamics
Ab initio molecular dynamics simulations at elevated temperature are carried out to
investigate the microscopic structure of liquid mixtures (deep eutectic solvents) composed of …
investigate the microscopic structure of liquid mixtures (deep eutectic solvents) composed of …
Can nanoplastics alter cell membranes?
Whilst the formation of plastic nanoparticles (nanoplastics) from plastic wastes has been
unequivocally evidenced, little is known about the effects of these materials on living …
unequivocally evidenced, little is known about the effects of these materials on living …
Locally concentrated ionic liquid electrolytes enabling low‐temperature lithium metal batteries
Lithium metal is a promising anode material for next‐generation high‐energy‐density
batteries but suffers from low strip**/plating Coulombic efficiency and dendritic growth …
batteries but suffers from low strip**/plating Coulombic efficiency and dendritic growth …
Controlling the hydrophilicity of the electrochemical interface to modulate the oxygen-atom transfer in electrocatalytic epoxidation reactions
The electrocatalytic epoxidation of alkenes at heterogeneous catalysts using water as the
sole oxygen source is a promising safe route toward the sustainable synthesis of epoxides …
sole oxygen source is a promising safe route toward the sustainable synthesis of epoxides …
[HTML][HTML] Study of subcritical water scale-up from laboratory to pilot system for brewer's spent grain valorization
The feasibility of an industrial-scale subcritical water (SW) system by scaling up from
laboratory to pilot scale in a discontinuous operation mode has been investigated regarding …
laboratory to pilot scale in a discontinuous operation mode has been investigated regarding …