Diaminofuroxan: Synthetic approaches and computer-aided study of thermodynamic stability
Тип публикации: Journal Article
Дата публикации: 2012-08-28
scimago Q2
wos Q3
БС2
SJR: 0.461
CiteScore: 3.9
Impact factor: 2.0
ISSN: 07213115, 15214087
General Chemistry
General Chemical Engineering
Краткое описание
Different approaches to synthesize diaminofuroxan are presented herein. Mathematical and quantum chemical methods were used to study the possible reasons for failures in the syntheses of diaminofuroxan. Additionally, structural isomers of this compound were generated. With the help of the results of quantum chemical calculations at levels of DFT B3LYP 6-31G(d) and MP2 6-31G(d), screening of the most stable isomeric forms in the gaseous phase and in water was performed. It was shown that diaminofuroxan is not the thermodynamically most stable isomer among its structural analogues.
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Makhova N. N. et al. Diaminofuroxan: Synthetic approaches and computer-aided study of thermodynamic stability // Propellants, Explosives, Pyrotechnics. 2012. Vol. 37. No. 5. pp. 549-557.
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Makhova N. N., Ovchinnikov I., Kulikov A. S., Khakimov D. V., Molchanova M. S., Pivina T. S. Diaminofuroxan: Synthetic approaches and computer-aided study of thermodynamic stability // Propellants, Explosives, Pyrotechnics. 2012. Vol. 37. No. 5. pp. 549-557.
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TY - JOUR
DO - 10.1002/prep.201100033
UR - https://doi.org/10.1002/prep.201100033
TI - Diaminofuroxan: Synthetic approaches and computer-aided study of thermodynamic stability
T2 - Propellants, Explosives, Pyrotechnics
AU - Makhova, Nina N.
AU - Ovchinnikov, I.V.
AU - Kulikov, Alexandr S
AU - Khakimov, Dmitriy V
AU - Molchanova, Marina S
AU - Pivina, Tatyana S
PY - 2012
DA - 2012/08/28
PB - Wiley
SP - 549-557
IS - 5
VL - 37
SN - 0721-3115
SN - 1521-4087
ER -
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@article{2012_Makhova,
author = {Nina N. Makhova and I.V. Ovchinnikov and Alexandr S Kulikov and Dmitriy V Khakimov and Marina S Molchanova and Tatyana S Pivina},
title = {Diaminofuroxan: Synthetic approaches and computer-aided study of thermodynamic stability},
journal = {Propellants, Explosives, Pyrotechnics},
year = {2012},
volume = {37},
publisher = {Wiley},
month = {aug},
url = {https://doi.org/10.1002/prep.201100033},
number = {5},
pages = {549--557},
doi = {10.1002/prep.201100033}
}
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Makhova, Nina N., et al. “Diaminofuroxan: Synthetic approaches and computer-aided study of thermodynamic stability.” Propellants, Explosives, Pyrotechnics, vol. 37, no. 5, Aug. 2012, pp. 549-557. https://doi.org/10.1002/prep.201100033.
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