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International Journal of Energetic Materials and Chemical Propulsion

Publicou 6 edições por ano

ISSN Imprimir: 2150-766X

ISSN On-line: 2150-7678

The Impact Factor measures the average number of citations received in a particular year by papers published in the journal during the two preceding years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) IF: 0.7 To calculate the five year Impact Factor, citations are counted in 2017 to the previous five years and divided by the source items published in the previous five years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) 5-Year IF: 0.7 The Immediacy Index is the average number of times an article is cited in the year it is published. The journal Immediacy Index indicates how quickly articles in a journal are cited. Immediacy Index: 0.1 The Eigenfactor score, developed by Jevin West and Carl Bergstrom at the University of Washington, is a rating of the total importance of a scientific journal. Journals are rated according to the number of incoming citations, with citations from highly ranked journals weighted to make a larger contribution to the eigenfactor than those from poorly ranked journals. Eigenfactor: 0.00016 The Journal Citation Indicator (JCI) is a single measurement of the field-normalized citation impact of journals in the Web of Science Core Collection across disciplines. The key words here are that the metric is normalized and cross-disciplinary. JCI: 0.18 SJR: 0.313 SNIP: 0.6 CiteScore™:: 1.6 H-Index: 16

Indexed in

THEORETICAL STUDY OF THE THERMODYNAMIC PROPERTIES OF NITROGEN- AND OXYGEN-CONTAINING HIGH-ENERGY MATERIALS

Volume 7, Edição 6, 2008, pp. 475-489
DOI: 10.1615/IntJEnergeticMaterialsChemProp.v7.i6.20
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RESUMO

Different multi-level [G2, G3, G2M(CC5)] and DFT-based (B3LYP, MPW1B95, and MPWB1K) techniques were tested for the calculations of the gas-phase formation enthalpy of nitrometanes as well as C-N bond dissociation energies of these species. The calculated values of the formation and reaction enthalpies were compared with the experimental data if these data were available. It was found that only the G3 procedure gave accurate (within 1 kcal/mol) results. Two new hybrid meta-DFT methods proposed by Truhlar's group showed good results for the reaction enthalpies of the C-N bond dissociation. Using the G3 procedure, the accurate formation enthalpies of some nitro-alkanes with remarkably scattered experimental data were obtained. The gas-phase formation enthalpies of hydrazinium (HNF) and ammonium nitroformate (ANF) were calculated. These data gave an opportunity to predict the dominating vaporization pathway of these compounds. The standard-state enthalpy of formation of a new perspective high-energy compound, [1,2,5]oxadiazolo[3,4-e][1,2,3,4]tetrazine-4,6-di-N-dioxide (furazano-1,2,3,4-tetrazine-1,3-dioxide), was computed using the theoretically calculated gas-phase formation enthalpy and the experimentally measured sublimation enthalpy.

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