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Mendeleev Communications, 2014, Volume 24, Issue 2, Pages 94–95
DOI: https://doi.org/10.1016/j.mencom.2014.03.009
(Mi mendc2483)
 

Communications

Simulation of Ozone and Molecular Oxygen Oxidation of Dinitrogen Tetroxide to Nitric Anhydride

D. V. Khakimov, I. V. Kuchurov, I. V. Fomenkov, T. S. Pivina, S. G. Zlotin, V. A. Tartakovsky

N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
Abstract: The oxidations of N2O4 to N2O5 with ozone or molecular oxygen were simulated using quantum chemistry (DFT) and computer modeling (Gaussian 98 program package) methods.
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Document Type: Article
Language: English


Citation: D. V. Khakimov, I. V. Kuchurov, I. V. Fomenkov, T. S. Pivina, S. G. Zlotin, V. A. Tartakovsky, “Simulation of Ozone and Molecular Oxygen Oxidation of Dinitrogen Tetroxide to Nitric Anhydride”, Mendeleev Commun., 24:2 (2014), 94–95
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  • https://www.mathnet.ru/eng/mendc/v24/i2/p94
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