A screened hybrid density functional study on energetic complexes: Cobalt, nickel and copper carbohydrazide perchlorates

Huang, Huisheng; Zhang, Tonglai; Zhang, Jianguo; Wang, Liqiong

doi:10.1016/j.jhazmat.2010.02.036

Cited by 24 publications

(1 citation statement)

References 63 publications

(84 reference statements)

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“…1). [12][13][14] There are many reports on metal carbohydrazide complexes, [15][16][17][18][19] which provide solid foundation for the application of the outstanding initiations cadmium tri(carbohydrazide) perchlorate and zinc tri(carbohydrazide) perchlorate. SCZ is structurally similar to CHZ, whereas the literature for semicarbazide coordination compounds is rare and its reported coordination mode is sole (Fig.…”

Section: Introductionmentioning

confidence: 99%

Seven rings, eight-coordinated binuclear chelate: [Ca₂(SCZ)₄(NO₃)₂(H₂O)₂]Cl₂(SCZ = semicarbazide)

Tong

Zhang

et al. 2015

RSC Adv.

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Section: Introductionmentioning

confidence: 99%

Seven rings, eight-coordinated binuclear chelate: [Ca₂(SCZ)₄(NO₃)₂(H₂O)₂]Cl₂(SCZ = semicarbazide)

Tong

Zhang

et al. 2015

RSC Adv.

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Laser Ignition of Energetic Transition Metal Complexes

Wurzenberger¹,

Shem‐Tov²,

Stierstorfer³

2022

Nitrogen‐Rich Energetic Materials

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Theoretical evaluation of sensitivity and thermal stability for high explosives based on quantum chemistry methods: A brief review

Yan

Zeman

2012

Int J of Quantum Chemistry

111

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Over the past 20 years, a number of scientists have conducted numerous fundamental investigations based on quantum chemistry theory into various mechanistic processes that seems to contribute to the sensitivity of energetic materials. A large number of theoretical methods that have been used to predict their mechanical and spark sensitivity are summarized in this article, in which the advantages and disadvantages of these methods, together with their scope of use are clarified. In addition, the theoretical models for thermal stability of explosives are briefly introduced as a supplement. It has been concluded that the current ability to predict sensitivity is merely based on a series of empirical rules, such as simple oxygen balance, molecular properties, and the ratios of C and H to oxygen for different classes of explosive compounds. These are valid only for organic classes of explosives, though some special models have been proposed for inorganic explosives, such as azides. An exact standard for sensitivity should be established experimentally by some new techniques for both energetic compounds and their mixtures. © 2013 Wiley Periodicals, Inc.

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A screened hybrid density functional study on energetic complexes: Cobalt, nickel and copper carbohydrazide perchlorates

Cited by 24 publications

References 63 publications

Seven rings, eight-coordinated binuclear chelate: [Ca₂(SCZ)₄(NO₃)₂(H₂O)₂]Cl₂(SCZ = semicarbazide)

Seven rings, eight-coordinated binuclear chelate: [Ca₂(SCZ)₄(NO₃)₂(H₂O)₂]Cl₂(SCZ = semicarbazide)

Laser Ignition of Energetic Transition Metal Complexes

Theoretical evaluation of sensitivity and thermal stability for high explosives based on quantum chemistry methods: A brief review

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A screened hybrid density functional study on energetic complexes: Cobalt, nickel and copper carbohydrazide perchlorates

Cited by 24 publications

References 63 publications

Seven rings, eight-coordinated binuclear chelate: [Ca2(SCZ)4(NO3)2(H2O)2]Cl2(SCZ = semicarbazide)

Seven rings, eight-coordinated binuclear chelate: [Ca2(SCZ)4(NO3)2(H2O)2]Cl2(SCZ = semicarbazide)

Laser Ignition of Energetic Transition Metal Complexes

Theoretical evaluation of sensitivity and thermal stability for high explosives based on quantum chemistry methods: A brief review

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Seven rings, eight-coordinated binuclear chelate: [Ca₂(SCZ)₄(NO₃)₂(H₂O)₂]Cl₂(SCZ = semicarbazide)

Seven rings, eight-coordinated binuclear chelate: [Ca₂(SCZ)₄(NO₃)₂(H₂O)₂]Cl₂(SCZ = semicarbazide)