Dynamics of water molecules in a templated aluminophosphate: molecular dynamics simulation of inelastic neutron scattering spectra

Abstract

In the templated aluminophosphate, DL-[Co(en)₃]Al₃-(PO₄)₄·3H₂O, the water molecules mediate the template–layer interaction: through a molecular dynamics simulation of the water molecule dynamics we have assigned the librational modes of water in the inelastic neutron scattering spectrum to motions of water molecules in three different environments.

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