Li+ in liquid hydroxylamine: intermolecular potential function and Monte Carlo simulation

Monte Carlo simulations have been performed for LiCl containing mixtures of water and hydroxylamine. The structure of solvate species formed by the ions depending on the solvent composition has been analyzed through radial distribution functions and coordination number distributions and is discussed in relation to solvation energy contributions. A number of factors, including preferential ligand binding, spatial conditions, and H-bonding possibilities, determine the formation of solvated ion species, whose average composition is, in most cases, arising from a wide variety of coordinations.

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Li+ in liquid hydroxylamine: intermolecular potential function and Monte Carlo simulation

Cited by 2 publications

References 8 publications

Na+ in liquid hydroxylamine: pair potential function from ab initio calculations and Monte Carlo computer simulation of a 0.36 M NaCl solution (2 NaCl/200 NH2OH)

Na+ in liquid hydroxylamine: pair potential function from ab initio calculations and Monte Carlo computer simulation of a 0.36 M NaCl solution (2 NaCl/200 NH2OH)

Solvation of lithium chloride in water–hydroxylamine mixtures: A theoretical investigation by means of Monte Carlo simulations

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