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Publications by Year: 2003

2003
Remediakis IN, Kaxiras E, Chen M, Friend CM. Dinitrosyl formation as an intermediate stage of the reduction of NO in the presence of MoO3. J. Chem. Phys. 2003;118 :6046.
Choly N, Kaxiras E. Fast method for force computations in electronic structure calculations. Phys. Rev. B. 2003;67 :155101.
Elstner M, Cui Q, Munih P, Kaxiras E, Frauenheim T, Karplus M. Modeling Zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis. J. Comput. Chem. 2003;24.