The interactions of diisopropylfluorophosphate (DFP) with model MgO and CaO surfaces have been investigated using density functional (DFT) and Moller-Plesset second order perturbation techniques. The geometries were fully optimized at the DFT level. The calculated interaction energies and the corresponding thermodynamic properties show that DFP is physisorbed on these two model oxide surfaces and adsorption on the MgO surface is stronger. Analyses of the calculated IR and Raman spectra point to the enhancement of the P=O stretching mode with respect to the isolated DFP and this property could be used to detect nerve-agents using surface-enhanced Raman spectroscopy. (C) 2007 Elsevier B.V. All rights reserved.