146 related articles for article (PubMed ID: 35079908)
1. Reactive molecular dynamics simulations on thermal decomposition of 3-methyl-2,6-dinitrophenol.
Zhao J; Xiao Y; He J; Wang J
J Mol Model; 2022 Jan; 28(2):45. PubMed ID: 35079908
[TBL] [Abstract][Full Text] [Related]
2. ReaxFF molecular dynamics simulations on thermal decomposition of RDX-based CMDB propellants.
Wei H; Li T; Yao K; Xuan Z
J Mol Model; 2022 Nov; 28(12):388. PubMed ID: 36383257
[TBL] [Abstract][Full Text] [Related]
3. The thermal decomposition process of Composition B by ReaxFF/lg force field.
Meng J; Zhang S; Gou R; Chen Y; Li Y; Chen M; Li Z
J Mol Model; 2020 Aug; 26(9):245. PubMed ID: 32820387
[TBL] [Abstract][Full Text] [Related]
4. Thermal Decomposition Mechanism of CL-20 at Different Temperatures by ReaxFF Reactive Molecular Dynamics Simulations.
Wang F; Chen L; Geng D; Wu J; Lu J; Wang C
J Phys Chem A; 2018 Apr; 122(16):3971-3979. PubMed ID: 29620895
[TBL] [Abstract][Full Text] [Related]
5. Investigation of the decomposition mechanism of MTNP melt-cast explosive at different temperatures and pressures through ReaxFF/lg molecular dynamics simulations.
Mao JS; Wang BG; Zhu R; Chen YF; Fu JB
J Mol Model; 2023 Nov; 29(11):354. PubMed ID: 37910219
[TBL] [Abstract][Full Text] [Related]
6. Thermal decomposition mechanism of HMX/HTPB hybrid explosives studied by reactive molecular dynamics.
Chen F; Li T; Zhao L; Guo G; Dong L; Mi F; Jia X; Ning R; Wang J; Cao D
J Mol Model; 2024 Jun; 30(7):224. PubMed ID: 38907749
[TBL] [Abstract][Full Text] [Related]
7. Carbon cluster formation during thermal decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-triamino-2,4,6-trinitrobenzene high explosives from ReaxFF reactive molecular dynamics simulations.
Zhang L; Zybin SV; van Duin AC; Dasgupta S; Goddard WA; Kober EM
J Phys Chem A; 2009 Oct; 113(40):10619-40. PubMed ID: 19791809
[TBL] [Abstract][Full Text] [Related]
8. Reactive molecular dynamics simulations on the thermal decomposition of poly alpha-methyl styrene.
Hu S; Sun W; Fu J; Zhang L; Fan Q; Zhang Z; Wu W; Tang Y
J Mol Model; 2017 Jun; 23(6):179. PubMed ID: 28478581
[TBL] [Abstract][Full Text] [Related]
9. Reactive Molecular Dynamics Simulations of the Thermal Decomposition Mechanism of 1,3,3-Trinitroazetidine.
Junying WU; Yanxi H; Lijun Y; Deshen G; Fuping W; Heqi W; Lang C
Chemphyschem; 2018 Oct; 19(20):2683-2695. PubMed ID: 30033624
[TBL] [Abstract][Full Text] [Related]
10. Study of the thermal decomposition mechanism of FOX-7 by molecular dynamics simulation and online photoionization mass spectrometry.
Jiang L; Fu X; Zhou Z; Zhang C; Li J; Qi F; Fan X; Zhang G
RSC Adv; 2020 Jun; 10(36):21147-21157. PubMed ID: 35518768
[TBL] [Abstract][Full Text] [Related]
11. Investigation of kerogen thermal decomposition mechanisms and kinetics via ReaxFF molecular dynamics simulations.
Hu S
J Mol Model; 2021 Jun; 27(7):208. PubMed ID: 34173054
[TBL] [Abstract][Full Text] [Related]
12. Effects of Different Guests on Pyrolysis Mechanism of α-CL-20/Guest at High Temperatures by Reactive Molecular Dynamics Simulations at High Temperatures.
Zhou M; Luo J; Xiang D
Int J Mol Sci; 2023 Jan; 24(3):. PubMed ID: 36768165
[TBL] [Abstract][Full Text] [Related]
13. Thermal decomposition of condensed-phase nitromethane from molecular dynamics from ReaxFF reactive dynamics.
Han SP; van Duin AC; Goddard WA; Strachan A
J Phys Chem B; 2011 May; 115(20):6534-40. PubMed ID: 21542572
[TBL] [Abstract][Full Text] [Related]
14. Analysis of Chemical Reaction Process after Pentaerythritol Tetranitrate Hot Spot Ignition.
Zhang Y; Li Q; He Y
ACS Omega; 2020 Nov; 5(45):28984-28991. PubMed ID: 33225129
[TBL] [Abstract][Full Text] [Related]
15. Thermal decomposition of hydrazines from reactive dynamics using the ReaxFF reactive force field.
Zhang L; Duin AC; Zybin SV; Goddard WA
J Phys Chem B; 2009 Aug; 113(31):10770-8. PubMed ID: 19601597
[TBL] [Abstract][Full Text] [Related]
16. Effect of density on the thermal decomposition mechanism of ε-CL-20: a ReaxFF reactive molecular dynamics simulation study.
Wang F; Chen L; Geng D; Lu J; Wu J
Phys Chem Chem Phys; 2018 Sep; 20(35):22600-22609. PubMed ID: 30116820
[TBL] [Abstract][Full Text] [Related]
17. Thermal Decomposition Mechanism of 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane Accelerated by Nano-Aluminum Hydride (AlH
Zhao Y; Mei Z; Zhao FQ; Xu SY; Ju XH
ACS Omega; 2020 Sep; 5(36):23193-23200. PubMed ID: 32954170
[TBL] [Abstract][Full Text] [Related]
18. Reactive molecular dynamics simulation of thermal decomposition for nano-aluminized explosives.
Mei Z; An Q; Zhao FQ; Xu SY; Ju XH
Phys Chem Chem Phys; 2018 Nov; 20(46):29341-29350. PubMed ID: 30444501
[TBL] [Abstract][Full Text] [Related]
19. Initiation mechanisms and kinetic analysis of the isothermal decomposition of poly(α-methylstyrene): a ReaxFF molecular dynamics study.
Hu S; Sun W; Fu J; Zhang Z; Wu W; Tang Y
RSC Adv; 2018 Jan; 8(7):3423-3432. PubMed ID: 35542940
[TBL] [Abstract][Full Text] [Related]
20. Molecular dynamics simulation of initial thermal decomposition mechanism of DNTF.
Bai H; Luo Y; Jiang J; Gou R; Zhang S; Hu W
J Mol Model; 2022 Apr; 28(5):111. PubMed ID: 35368209
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
