A hydrated ion model of [ UO 2 ] 2 + in water: Structure, dynamics, and spectroscopy from classical molecular dynamics - Pérez-Conesa, Sergio; Torrico, Francisco; Martínez, José M.; Pappalardo, Rafael R.; Sánchez Marcos, Enrique (The Journal of chemical physics, 2016)
Keywords: Anisotropy; Computer simulation; Coordination numbers; Diffusion coefficient; Distribution functions; Enthalpy; Equatorial regions; Hydration; Hydrogen bonding; Molecular dynamics; Molecular structure; Power spectra; Radial distribution; Residential density; Solvents; Spatial distribution; Spectrum analysis; Uranium dioxide; Water chemistry