These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

136 related articles for article (PubMed ID: 36144508)

  • 1. The Anisotropic Chemical Reaction Mechanism of 1,3,3-trinitroazetidine (TNAZ) under Different Shock Wave Directions by ReaxFF Reactive Molecular Dynamics Simulations.
    Li J; Wu J; Shang Y; Mudassar M
    Molecules; 2022 Sep; 27(18):. PubMed ID: 36144508
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Crystal morphology prediction of 1,3,3-trinitroazetidine in ethanol solvent by molecular dynamics simulation.
    Shi W; Chu Y; Xia M; Lei W; Wang F
    J Mol Graph Model; 2016 Mar; 64():94-100. PubMed ID: 26811871
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 1,3,3-Trinitroazetidine (TNAZ), a melt-cast explosive: synthesis, characterization and thermal behaviour.
    Sikder N; Sikder AK; Bulakh NR; Gandhe BR
    J Hazard Mater; 2004 Sep; 113(1-3):35-43. PubMed ID: 15363512
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical study for anisotropic responses of the condensed-phase RDX under shock loadings.
    Bai ZQ; Dai B; Chang J; Wang J; Ge NN
    J Mol Graph Model; 2018 Oct; 85():316-322. PubMed ID: 30286392
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Effect of organic additives on the mitigation of volatility of 1-nitro-3,3'-dinitroazetidine (TNAZ): next generation powerful melt cast able high energy material.
    Talawar MB; Singh A; Naik NH; Polke BG; Gore GM; Asthana SN; Gandhe BR
    J Hazard Mater; 2006 Jun; 134(1-3):8-18. PubMed ID: 16310944
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Initial Decomposition Mechanism of 3-Nitro-1,2,4-triazol-5-one (NTO) under Shock Loading: ReaxFF Parameterization and Molecular Dynamic Study.
    Du L; Jin S; Nie P; She C; Wang J
    Molecules; 2021 Aug; 26(16):. PubMed ID: 34443396
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Anisotropic hydrogen bond structures and orientation dependence of shock sensitivity in crystalline 1,3,5-tri-amino-2,4,6-tri-nitrobenzene (TATB).
    Huang X; Guo F; Yao K; Lu Z; Ma Y; Wen Y; Dai X; Li M; Long X
    Phys Chem Chem Phys; 2020 Jun; 22(21):11956-11966. PubMed ID: 32412558
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Anisotropic response of the co-crystal of CL-20/TNT under shock loading: molecular dynamics simulation.
    Li Y; Yu WL; Huang H; Zhu M; Wang JT
    RSC Adv; 2021 Nov; 11(61):38383-38390. PubMed ID: 35493208
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Molecular dynamics simulations of the melting of 1,3,3-trinitroazetidine.
    Agrawal PM; Rice BM; Zheng L; Velardez GF; Thompson DL
    J Phys Chem B; 2006 Mar; 110(11):5721-6. PubMed ID: 16539517
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Anisotropic responses and initial decomposition of condensed-phase β-HMX under shock loadings via molecular dynamics simulations in conjunction with multiscale shock technique.
    Ge NN; Wei YK; Song ZF; Chen XR; Ji GF; Zhao F; Wei DQ
    J Phys Chem B; 2014 Jul; 118(29):8691-9. PubMed ID: 24964079
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Investigation of dislocation and twinning behavior in HMX under high-velocity impact employing molecular dynamics simulations.
    Yang CS; Zhang SH
    J Mol Model; 2024 Jan; 30(2):50. PubMed ID: 38267739
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Reaction analysis and visualization of ReaxFF molecular dynamics simulations.
    Liu J; Li X; Guo L; Zheng M; Han J; Yuan X; Nie F; Liu X
    J Mol Graph Model; 2014 Sep; 53():13-22. PubMed ID: 25064439
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Shock initiated thermal and chemical responses of HMX crystal from ReaxFF molecular dynamics simulation.
    Zhou T; Song H; Liu Y; Huang F
    Phys Chem Chem Phys; 2014 Jul; 16(27):13914-31. PubMed ID: 24899535
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Desensitization of TNAZ via Molecular Structure Modification and Explosive Properties - A DFT Study.
    Türker L; Varis S
    Acta Chim Slov; 2012 Dec; 59(4):749-59. PubMed ID: 24061355
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Chemical reactions of a CL-20 crystal under heat and shock determined by ReaxFF reactive molecular dynamics simulations.
    Wang F; Chen L; Geng D; Lu J; Wu J
    Phys Chem Chem Phys; 2020 Oct; 22(40):23323-23332. PubMed ID: 33035287
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Reaction mechanism and electronic properties of host-guest energetic material CL-20/HA under high pressure by quantum-based molecular dynamics simulations.
    Xiao Y; Chen L; Yang K; Lu J; Wu J
    Phys Chem Chem Phys; 2023 Jun; 25(23):15846-15854. PubMed ID: 37255257
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.