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The ammonium nitrate and its mechanism of decomposition in the gas phase: a theoretical study and a DFT benchmark

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a
Laboratoire d'Electrochimie, Chimie des Interfaces et Modélisation pour l'Energie, CNRS UMR-7575, Ecole Nationale Supérieure de Chimie de Paris Chimie Paris-Tech, 11 rue P. et M. Curie, 75231 Paris Cedex 05, France
E-mail: carlo-adamo@chimie-paristech.fr
b
Institut National de l'Environnement Industriel et des Risques (INERIS), Parc Technologique Alata, BP2, 60550 Verneuil-en-Halatte, France
c
Institut Universitaire de France, 103 Boulevard Saint Michel, F-75005 Paris, France
Phys. Chem. Chem. Phys., 2013,15, 10849-10858

DOI: 10.1039/C3CP50368B
Received 25 Jan 2013, Accepted 23 Apr 2013
First published online 26 Apr 2013
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