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International Journal of Energetic Materials and Chemical Propulsion

Выходит 6 номеров в год

ISSN Печать: 2150-766X

ISSN Онлайн: 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

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FORMATION AND DECOMPOSITION OF CH2N AND CH2NO IN THE COMBUSTION OF RDX and HMX STUDIED BY QUANTUM CHEMICAL AND STATISTICAL THEORY CALCULATIONS

Том 5, Выпуск 1-6, 2002, pp. 31-39
DOI: 10.1615/IntJEnergeticMaterialsChemProp.v5.i1-6.50
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Краткое описание

The kinetics and mechanisms for the formation and decomposition of CH2N and CH2NO radicals have been studied by high-level ab initio molecular orbital and statistical theory calculations. On the basis of the computed potential energy surfaces, the rate constants for production of the two radicals from the unimolecular decomposition of CH2NNO2 have been computed by means of the canonical variational RRKM theory as functions of temperature and pressure relevant to the combustion of RDX and HMX. Similar calculations have been performed for the decomposition of these radicals under the same conditions. For the CH2NO radical, the formation of H + HCNO was predicted to be more prevalent than it competitive process producing HCN + OH.

Ключевые слова: RDX, HMX, CH2N, CH2NO, Ab Initio Calculations, RRKM Theory
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