Browsing by Subject "ab initio calculations"

Browsing by Subject "ab initio calculations"

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  • Chaplot S.L.; Choudhury N.; Ghose S.; Rao M.N.; Mittal R.; Goel P. (2002)
    We review current research on minerals using inelastic neutron scattering and lattice dynamics calculations. Inelastic neutron scattering studies in combination with first principles and atomistic calculations provide a ...