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Using first principle quantum chemical methods based on Hartree-Fock, density functional theory and second order Moller-Plesset perturbational theory, equilibrium configurations of N,N'-dimethylethyleneurea (DMEU) dimer and DMEU-water systems were studied using the D95**+ full double-zeta, cc-pVXZ and aug-cc-pVXZ (X = D, T, Q) basis sets. Three different structures for DMEU dimer and two for DMEU-water systems were found. Method of the symmetry-adapted
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