Journal of Physical Chemistry A, volume 125, issue 18, pages 3920-3927

Nitrodiaziridines: Unattainable yet, but Desired Energetic Materials

Publication typeJournal Article
Publication date2021-04-28
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor2.9
ISSN10895639, 15205215
Physical and Theoretical Chemistry
Abstract
Using quantum chemical methods and the original technique based on atom-atom potential methods, the molecular and crystal structure simulation of all possible structural forms of nitrodiaziridines were carried out. The possible pathways of thermal decomposition of nitrodiaziridines were modeled, and the most stable forms were identified. Thermodynamic stability, physicochemical characteristics, and detonation properties were also estimated. The obtained results enable a huge potential of the nitrodiaziridine-based compounds as high-energy materials for a variety of applications.

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GOST Copy
Khakimov D. et al. Nitrodiaziridines: Unattainable yet, but Desired Energetic Materials // Journal of Physical Chemistry A. 2021. Vol. 125. No. 18. pp. 3920-3927.
GOST all authors (up to 50) Copy
Khakimov D., Fershtat L. L., Pivina T. S., Makhova N. N. Nitrodiaziridines: Unattainable yet, but Desired Energetic Materials // Journal of Physical Chemistry A. 2021. Vol. 125. No. 18. pp. 3920-3927.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1021/acs.jpca.1c02960
UR - https://doi.org/10.1021%2Facs.jpca.1c02960
TI - Nitrodiaziridines: Unattainable yet, but Desired Energetic Materials
T2 - Journal of Physical Chemistry A
AU - Khakimov, Dmitry
AU - Fershtat, Leonid L.
AU - Pivina, Tatyana S
AU - Makhova, Nina N.
PY - 2021
DA - 2021/04/28 00:00:00
PB - American Chemical Society (ACS)
SP - 3920-3927
IS - 18
VL - 125
SN - 1089-5639
SN - 1520-5215
ER -
BibTex |
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BibTex Copy
@article{2021_Khakimov
author = {Dmitry Khakimov and Leonid L. Fershtat and Tatyana S Pivina and Nina N. Makhova},
title = {Nitrodiaziridines: Unattainable yet, but Desired Energetic Materials},
journal = {Journal of Physical Chemistry A},
year = {2021},
volume = {125},
publisher = {American Chemical Society (ACS)},
month = {apr},
url = {https://doi.org/10.1021%2Facs.jpca.1c02960},
number = {18},
pages = {3920--3927},
doi = {10.1021/acs.jpca.1c02960}
}
MLA
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MLA Copy
Khakimov, Dmitry, et al. “Nitrodiaziridines: Unattainable yet, but Desired Energetic Materials.” Journal of Physical Chemistry A, vol. 125, no. 18, Apr. 2021, pp. 3920-3927. https://doi.org/10.1021%2Facs.jpca.1c02960.
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