The work presented here is concerned with the kinetic behavior of hydrogen and deuterium, acting as sorbate molecules, within two crystalline metal-organic structures, known as zeolitic imidazolate frameworks, the ZIF-3 and ZIF-8. Two kinds of experiments, quasi-elastic neutron scattering and molecular dynamics computer simulation, were conducted in parallel in order to track the motion of the sorbate molecules.

zeolite imidazolate frameworks (ZIFs), Molecular Dynamics, hydrogen, kinetics, quasi-elastic neutron scattering