The titanium-decorated C₆₀(TiC₂H₂)₆ fullerene matrix doped with molecular hydrogen (H₂) was studied by MD simulation. The process of hydrogens' desorption from the solid matrix was investigated by analyzing several physical quantities: the radial distribution function, the mean square displacement, the translational and angular velocity autocorrelation functions, translational diffusion coefficient, etc. over a wide range of temperature.

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