@article{8806a5d1f7e441ff8e5197cbbf5a88e6,
title = "Theoretical study on structure, heat of formation and detonation properties of picrate-based energetic ionic salts",
abstract = "The DFT-B3LYP method was employed to optimize the molecular geometries of five kinds of picric energetic ionic salts: ammonium; aminoglycolurilj carbohydrazide; aminoguanidinl; diaminotetrazole. Their IR vibration frequency and heat of formation were investigated. Based on the heat of formation, the detonation properties (detonation velocity and detonation pressure) of the title compounds were estimated from the KamletJacobs equation.",
keywords = "Density functional theory, Detonation pressure, Detonation velocity, Heat of formation, Molecular geometry, Physical chemistry",
author = "Li, {Zhi Min} and Yan, {Ying Jun} and Ji, {Hui Ying} and Zhang, {Jian Guo} and Zhang, {Tong Lai} and Li Yang",
year = "2009",
language = "English",
volume = "32",
pages = "6--10",
journal = "Huozhayao Xuebao/Chinese Journal of Explosives and Propellants",
issn = "1007-7812",
publisher = "China Ordnance Industry Corporation",
number = "6",
}