Theoretical computation of 5-aminotetrazolium nitroformate

Wei Liu; Yu Chuan Li; Xiao Tong Li; Yu Zhang Yang; Qiu Han Lin; Si Ping Pang

doi:10.3969/j.issn.1006-9941.2013.02.011

Theoretical computation of 5-aminotetrazolium nitroformate

Wei Liu, Yu Chuan Li, Xiao Tong Li, Yu Zhang Yang, Qiu Han Lin, Si Ping Pang^*

^*此作品的通讯作者

材料学院

科研成果: 期刊稿件 › 文章 › 同行评审

3 引用（Scopus）

摘要

The structure and properties of 5-aminotetrazolium nitroformate were studied using quantum chemistry method. The density, heat of formation, detonation velocity and pressure were calculated. The calculated density was 1.93 g·cm^-3, and the detonation velocity and pressure were 9.47 km·s^-1 and 38.82 GPa, respectively. The detonation properties were better than those of TNT, RDX, HMX.

源语言	英语
页（从-至）	213-216
页数	4
期刊	Hanneng Cailiao/Chinese Journal of Energetic Materials
卷	21
期	2
DOI	https://doi.org/10.3969/j.issn.1006-9941.2013.02.011
出版状态	已出版 - 4月 2013

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Liu, W., Li, Y. C., Li, X. T., Yang, Y. Z., Lin, Q. H., & Pang, S. P. (2013). Theoretical computation of 5-aminotetrazolium nitroformate. Hanneng Cailiao/Chinese Journal of Energetic Materials, 21(2), 213-216. https://doi.org/10.3969/j.issn.1006-9941.2013.02.011

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abstract = "The structure and properties of 5-aminotetrazolium nitroformate were studied using quantum chemistry method. The density, heat of formation, detonation velocity and pressure were calculated. The calculated density was 1.93 g·cm-3, and the detonation velocity and pressure were 9.47 km·s-1 and 38.82 GPa, respectively. The detonation properties were better than those of TNT, RDX, HMX.",

keywords = "5-aminotetrazole, Detonation properties, Inoic salts, Nitroform, Physical chemistry",

author = "Wei Liu and Li, {Yu Chuan} and Li, {Xiao Tong} and Yang, {Yu Zhang} and Lin, {Qiu Han} and Pang, {Si Ping}",

year = "2013",

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doi = "10.3969/j.issn.1006-9941.2013.02.011",

language = "English",

volume = "21",

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journal = "Hanneng Cailiao/Chinese Journal of Energetic Materials",

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T1 - Theoretical computation of 5-aminotetrazolium nitroformate

AU - Liu, Wei

AU - Li, Yu Chuan

AU - Li, Xiao Tong

AU - Yang, Yu Zhang

AU - Lin, Qiu Han

AU - Pang, Si Ping

PY - 2013/4

Y1 - 2013/4

N2 - The structure and properties of 5-aminotetrazolium nitroformate were studied using quantum chemistry method. The density, heat of formation, detonation velocity and pressure were calculated. The calculated density was 1.93 g·cm-3, and the detonation velocity and pressure were 9.47 km·s-1 and 38.82 GPa, respectively. The detonation properties were better than those of TNT, RDX, HMX.

AB - The structure and properties of 5-aminotetrazolium nitroformate were studied using quantum chemistry method. The density, heat of formation, detonation velocity and pressure were calculated. The calculated density was 1.93 g·cm-3, and the detonation velocity and pressure were 9.47 km·s-1 and 38.82 GPa, respectively. The detonation properties were better than those of TNT, RDX, HMX.

KW - 5-aminotetrazole

KW - Detonation properties

KW - Inoic salts

KW - Nitroform

KW - Physical chemistry

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JO - Hanneng Cailiao/Chinese Journal of Energetic Materials

JF - Hanneng Cailiao/Chinese Journal of Energetic Materials

IS - 2

ER -

Theoretical computation of 5-aminotetrazolium nitroformate

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