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Size limits and fission channels of doubly charged noble gas clusters
I Stromberg, S Bergmeister, L Ganner… - Physical Chemistry …, 2024 - pubs.rsc.org
Small, highly charged liquid droplets are unstable with respect to spontaneous charge
separation when their size drops below the Rayleigh limit or, in other words, their fissility …
separation when their size drops below the Rayleigh limit or, in other words, their fissility …
Unravelling the potential of silicon carbide for water treatment: Insights on the interactions of fluoroquinolone antibiotics
Antibiotics and their residues, particularly those belonging to the fluoroquinolone class, are
harmful to aquatic and human life, making their removal essential. Although 2D materials …
harmful to aquatic and human life, making their removal essential. Although 2D materials …
New mechanisms of macroion-induced disintegration of charged droplets
Molecular modeling has revealed that the presence of charged macromolecules
(macroions) in liquid droplets dramatically changes the pathways of droplet fission. These …
(macroions) in liquid droplets dramatically changes the pathways of droplet fission. These …
[HTML][HTML] Molecular simulation methods of evaporating electrosprayed droplets
A robust methodology for molecular simulations of evaporating droplets that enables
comparison between the dynamics of the process of interest and the solvent evaporation …
comparison between the dynamics of the process of interest and the solvent evaporation …
CO2 clusters: forming fragile dications in helium nanodroplets
For many atoms and molecules, small multiply charged clusters are unstable with respect to
spontaneous charge separation. When bare CO 2 clusters are ionized by electrons, the …
spontaneous charge separation. When bare CO 2 clusters are ionized by electrons, the …
Macroion–solvent interactions in charged droplets
Macroion–droplet interactions play a critical role in many settings such as ionization
techniques of samples in mass spectrometry analysis and atmospheric aerosols. The …
techniques of samples in mass spectrometry analysis and atmospheric aerosols. The …
Alkaline earth metal mediated inter-molecular magnetism in perfluorocubane dimers and chains
Z Li, C Wang, L Zhou, Y Guan, L Wu, J Dai… - arxiv preprint arxiv …, 2024 - arxiv.org
Perfluorocubane ($ C_8F_8 $) was successfully synthesized and found to accept and store
electrons in its internal cubic cavity to form magnetic moments. However their inter-molecule …
electrons in its internal cubic cavity to form magnetic moments. However their inter-molecule …
Dynamics and thermodynamics of decay in charged clusters
We propose a method for quantifying charge-driven instabilities in clusters, based on
equilibrium simulations under confinement at constant external pressure. This approach …
equilibrium simulations under confinement at constant external pressure. This approach …
Charge localization in multiply charged clusters and their electrical properties: Some insights into electrospray droplets
The surface composition of charged Lennard-Jones clusters| ${\rm A} _N^{n+} $| AN n+,
composed of N particles (55≤ N≤ 1169) among which n are positively charged with charge …
composed of N particles (55≤ N≤ 1169) among which n are positively charged with charge …
Rayleigh limit and fragmentation of multiply charged Lennard-Jones clusters: Can charged clusters provide clues to investigate the stability of electrospray droplets?
DA Bonhommeau - The Journal of Chemical Physics, 2017 - pubs.aip.org
The fragmentation of multiply charged clusters composed of N≤ 1000 Lennard-Jones
particles augmented with electrostatic interactions is explored by classical Monte Carlo and …
particles augmented with electrostatic interactions is explored by classical Monte Carlo and …