A molecular dynamics modelling of cation hydrolysis effects
A molecular dynamics modelling of cation hydrolysis effects is a scholarly work by Taras Bryk and Myroslav Holovko, published in 2005 in ''Journal of Electroanalytical Chemistry''. The main subjects of the publication include ion, chemistry, redistribution, octahedron, aqueous solution, molecule, hydrolysis, quantum biology, density functional theory, inorganic chemistry, computational chemistry, molecular dynamics simulation, solvation shell, deprotonation, chemical physics, and intramolecular force. A model of a primitive cation MZ+ in aqueous solution is introduced in order to clarify the influence of ion charge on hydration structure of cations.