Explosive properties of nanosized diacetone diperoxide and its nitro derivatives: a DFT study

被引:0
|
作者
Mohammad Kahnooji
Hossein Momenizadeh Pandas
Mohammad Mirzaei
Ali Ahmadi Peyghan
机构
[1] Islamic Azad University,Young Researchers and Elite Club, Central Tehran Branch
[2] Tarbiat Modares University,Department of Chemistry
[3] Semnan University,Department of Chemistry
[4] Malek Ashtar University of Technology,Department of Chemistry
关键词
B3LYP; Explosive; Diacetone diperoxide; Nitrodiacetone diperoxides;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:1401 / 1408
页数:7
相关论文
共 50 条
  • [21] A theoretical study of subphthalocyanine and its nitro- and tertbutyl-derivatives
    Ferro, VR
    de la Vega, JMG
    González-Jonte, RH
    Poveda, LA
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2001, 537 : 223 - 234
  • [22] Substituent effects and photo-physical properties in polythiophene and its derivatives: A PBC-DFT study
    Chou, Yu-Ma
    Chen, Wen-Hao
    Liang, Chao-Chung
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 894 (1-3): : 117 - 120
  • [23] Electronic structure properties of fluorene-phenylene monomer and its derivatives: TD-DFT study
    Gong, ZJ
    Lagowski, JB
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 729 (03): : 211 - 222
  • [24] A DFT study of electronic structures, energies, and molecular properties of lithium bis[croconato]borate and its derivatives
    Xue, Zhao-Ming
    Ding, Yu-Zhen
    Chen, Chun-Hua
    ELECTROCHIMICA ACTA, 2007, 53 (02) : 990 - 997
  • [25] A Predictive Study on Molecular and Explosive Properties of 1-Aminoimidazole Derivatives
    Cho, Soo Gyeong
    BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2011, 32 (07) : 2319 - 2324
  • [26] DFT study of five naphthalimide derivatives: Structures and redox properties
    MacIntyre, Meghan M.
    Martell, Jaime M.
    Eriksson, Leif A.
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 941 (1-3): : 133 - 137
  • [27] DFT Study on the Structures and Properties of Difluoramino Derivatives of RDX and HMX
    Liu H.
    Zhang Y.-J.
    Zhang L.-Y.
    Zheng W.-F.
    Pan R.-M.
    Huozhayao Xuebao/Chinese Journal of Explosives and Propellants, 2019, 42 (04): : 363 - 367
  • [28] A theoretical study on the vibrational spectra and thermodynamic properties for the nitro derivatives of phenols
    Wang, Gui-xiang
    Gong, Xue-dong
    Liu, Yan
    Xiao, He-ming
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2009, 74 (02) : 569 - 574
  • [29] Computational study on energetic properties of nitro derivatives of furan substituted azoles
    Ghule, Vikas D.
    Srinivas, Dharavath
    Radhakrishnan, S.
    Jadhav, Pandurang M.
    Tewari, Surya P.
    STRUCTURAL CHEMISTRY, 2012, 23 (03) : 749 - 754
  • [30] Computational study on energetic properties of nitro derivatives of furan substituted azoles
    Vikas D. Ghule
    Dharavath Srinivas
    S. Radhakrishnan
    Pandurang M. Jadhav
    Surya P. Tewari
    Structural Chemistry, 2012, 23 : 749 - 754