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Reactivity of the vanadia/titania catalyst for the nox removal : a periodic dft study

Objective

The vanadia/titania catalyst and its reactivity with NOx and NH3 will be studied by means of periodic DFT calculations, carried out with the VASP program.

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Call for proposal

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Coordinator

UNIVERSITE PIERRE ET MARIE CURIE - PARIS VI
Address
Place Jussieu 4
75252 Paris
France

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