The static dielectric constant ε0 was calculated for structures of liquid water obtained from Reverse Monte Carlo (RMC) simulations driven by partial radial pair correlation functions on one hand and by neutron- and X-ray structure factors on the other. For this purpose, RMC simulations with...

We have performed molecular dynamics simulations of systems consisting of monoatomic and diatomic species, which mimick either equilibrium distributions of particles in dimerizing associating fluids under given external conditions or equivalently, fluid mixtures of spherical and nonspherical...