Physical Chemistry Chemical Physics, volume 25, issue 8, pages 6481-6490

Phase Transition-Induced Initial Decomposition of Nitrogen-Rich Binary CN Compound 2,2’-Azobis(5-azidotetrazole) and Its Precursor 2-Amino-5-azidotetrazole via Tetrazole Ring Opening under External Electric Fields: A Comparative DFT-D Study

Publication type: Journal Article
Publication date: 2023-01-25
Quartile SCImago
Q2
Quartile WOS
Q1
SJR: 0.721
CiteScore: 5.5
Impact factor: 2.9
ISSN: 14639076, 14639084
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract

A comparative DFT-D study was performed to investigate external electric field-induced crystal structures, electronic features, Hirshfeld surfaces, vibrational properties and initial decomposition mechanisms of nitrogen-rich binary CN compound 2,2’-azobis(5-azidotetrazole) (C2N16)...

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Wu X. et al. Phase Transition-Induced Initial Decomposition of Nitrogen-Rich Binary CN Compound 2,2’-Azobis(5-azidotetrazole) and Its Precursor 2-Amino-5-azidotetrazole via Tetrazole Ring Opening under External Electric Fields: A Comparative DFT-D Study // Physical Chemistry Chemical Physics. 2023. Vol. 25. No. 8. pp. 6481-6490.
GOST all authors (up to 50) Copy
Wu X., Li Y., Xu J., Dong W., Zhang J. Phase Transition-Induced Initial Decomposition of Nitrogen-Rich Binary CN Compound 2,2’-Azobis(5-azidotetrazole) and Its Precursor 2-Amino-5-azidotetrazole via Tetrazole Ring Opening under External Electric Fields: A Comparative DFT-D Study // Physical Chemistry Chemical Physics. 2023. Vol. 25. No. 8. pp. 6481-6490.
RIS |
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TY - JOUR
DO - 10.1039/d2cp05692e
UR - https://doi.org/10.1039/d2cp05692e
TI - Phase Transition-Induced Initial Decomposition of Nitrogen-Rich Binary CN Compound 2,2’-Azobis(5-azidotetrazole) and Its Precursor 2-Amino-5-azidotetrazole via Tetrazole Ring Opening under External Electric Fields: A Comparative DFT-D Study
T2 - Physical Chemistry Chemical Physics
AU - Wu, Xiaowei
AU - Li, Yunqiu
AU - Xu, Jianhua
AU - Dong, Wenshuai
AU - Zhang, Jianguo
PY - 2023
DA - 2023/01/25
PB - Royal Society of Chemistry (RSC)
SP - 6481-6490
IS - 8
VL - 25
SN - 1463-9076
SN - 1463-9084
ER -
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@article{2023_Wu,
author = {Xiaowei Wu and Yunqiu Li and Jianhua Xu and Wenshuai Dong and Jianguo Zhang},
title = {Phase Transition-Induced Initial Decomposition of Nitrogen-Rich Binary CN Compound 2,2’-Azobis(5-azidotetrazole) and Its Precursor 2-Amino-5-azidotetrazole via Tetrazole Ring Opening under External Electric Fields: A Comparative DFT-D Study},
journal = {Physical Chemistry Chemical Physics},
year = {2023},
volume = {25},
publisher = {Royal Society of Chemistry (RSC)},
month = {jan},
url = {https://doi.org/10.1039/d2cp05692e},
number = {8},
pages = {6481--6490},
doi = {10.1039/d2cp05692e}
}
MLA
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Wu, Xiaowei, et al. “Phase Transition-Induced Initial Decomposition of Nitrogen-Rich Binary CN Compound 2,2’-Azobis(5-azidotetrazole) and Its Precursor 2-Amino-5-azidotetrazole via Tetrazole Ring Opening under External Electric Fields: A Comparative DFT-D Study.” Physical Chemistry Chemical Physics, vol. 25, no. 8, Jan. 2023, pp. 6481-6490. https://doi.org/10.1039/d2cp05692e.
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