Ab initio molecular dynamics study of heterogeneous oxidation of graphite by means of gas-phase nitric acid

Antonio Rodríguez-Fortea1, Marcella Iannuzzi, Michele Parrinello

  • 1Computational Science, Department of Chemistry and Applied Biosciences, ETH Zurich, USI Campus, Via Giuseppe Buffi 13, CH-6904 Lugano, Switzerland. antonio.rodriguezf@urv.net

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