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 *

155 related articles for article (PubMed ID: 29367992)

  • 1. Predicted detonation properties at the Chapman-Jouguet state for proposed energetic materials (MTO and MTO3N) from combined ReaxFF and quantum mechanics reactive dynamics.
    Zhou T; Zybin SV; Goddard WA; Cheng T; Naserifar S; Jaramillo-Botero A; Huang F
    Phys Chem Chem Phys; 2018 Feb; 20(6):3953-3969. PubMed ID: 29367992
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics.
    Guo D; Zybin SV; An Q; Goddard WA; Huang F
    Phys Chem Chem Phys; 2016 Jan; 18(3):2015-22. PubMed ID: 26688211
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Detonation Performance of Insensitive Nitrogen-Rich Nitroenamine Energetic Materials Predicted from First-Principles Reactive Molecular Dynamics Simulations.
    Guo D; Wei Y; Zybin SV; Liu Y; Huang F; Goddard WA
    JACS Au; 2024 Apr; 4(4):1605-1614. PubMed ID: 38665641
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Increasing Oxygen Balance Leads to Enhanced Performance in Environmentally Acceptable High-Energy Density Materials: Predictions from First-Principles Molecular Dynamics Simulations.
    Guo D; Zybin SV; Chafin AP; Goddard WA
    ACS Appl Mater Interfaces; 2022 Feb; 14(4):5257-5264. PubMed ID: 35040628
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Thermal Stability and Detonation Properties of Potassium 4,4'-Bis(dinitromethyl)-3,3'-azofurazanate, an Environmentally Friendly Energetic Three-Dimensional Metal-Organic Framework.
    Guo D; An Q
    ACS Appl Mater Interfaces; 2019 Jan; 11(1):1512-1519. PubMed ID: 30525412
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Deep Potential Molecular Dynamics Study of Chapman-Jouguet Detonation Events of Energetic Materials.
    Zhang J; Guo W; Yao Y
    J Phys Chem Lett; 2023 Aug; 14(32):7141-7148. PubMed ID: 37535980
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Molecular simulations of Hugoniots of detonation product mixtures at chemical equilibrium: microscopic calculation of the Chapman-Jouguet state.
    Bourasseau E; Dubois V; Desbiens N; Maillet JB
    J Chem Phys; 2007 Aug; 127(8):084513. PubMed ID: 17764275
    [TBL] [Abstract][Full Text] [Related]  

  • 9. ReaxFF-lg: correction of the ReaxFF reactive force field for London dispersion, with applications to the equations of state for energetic materials.
    Liu L; Liu Y; Zybin SV; Sun H; Goddard WA
    J Phys Chem A; 2011 Oct; 115(40):11016-22. PubMed ID: 21888351
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Influence of interatomic bonding potentials on detonation properties.
    Heim AJ; Grønbech-Jensen N; Germann TC; Holian BL; Kober EM; Lomdahl PS
    Phys Rev E Stat Nonlin Soft Matter Phys; 2007 Aug; 76(2 Pt 2):026318. PubMed ID: 17930153
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 2-Fluoro-1,3-diamino-4,6-dinitrobenzene (ZXC-7) and 2-Fluoro-1,3,5-triamino-4,6-dinitrobenzene (ZXC-8): Thermally Stable Explosives with Outstanding Properties.
    Zhang Z; Ma J; Zhou Q; Hu W; Zhang X
    Chempluschem; 2019 Jan; 84(1):119-122. PubMed ID: 31950743
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Dynamic transition in the structure of an energetic crystal during chemical reactions at shock front prior to detonation.
    Nomura K; Kalia RK; Nakano A; Vashishta P; van Duin AC; Goddard WA
    Phys Rev Lett; 2007 Oct; 99(14):148303. PubMed ID: 17930730
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Theoretical design of novel energetic salts derived from bicyclo-HMX.
    Zhang C; Zhao FQ; Xu SY; Ju XH
    J Mol Model; 2018 Oct; 24(10):304. PubMed ID: 30280266
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Complete equations of state for PETN and its products from atomistic simulations.
    Sergeev OV; Mukhanov AE; Murzov SA; Yanilkin AV
    Phys Chem Chem Phys; 2020 Dec; 22(47):27572-27580. PubMed ID: 33236737
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Microscopic approaches to liquid nitromethane detonation properties.
    Hervouët A; Desbiens N; Bourasseau E; Maillet JB
    J Phys Chem B; 2008 Apr; 112(16):5070-8. PubMed ID: 18376884
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. First principles reactive simulation for equation of state prediction.
    Jadrich RB; Ticknor C; Leiding JA
    J Chem Phys; 2021 Jun; 154(24):244307. PubMed ID: 34241343
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Automated Skeleton Network Generation for ReaxFF Molecular Dynamics Simulations of Hydrocarbon Fuel Pyrolysis and Oxidation via a Rate-Based Algorithm.
    Xiao Y; Zheng M; Li X; Ren C
    J Chem Theory Comput; 2024 Jul; 20(13):5539-5557. PubMed ID: 38937883
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 5,5'-Bis(2,4,6-trinitrophenyl)-2,2'-bi(1,3,4-oxadiazole) (TKX-55): Thermally Stable Explosive with Outstanding Properties.
    Klapötke TM; Witkowski TG
    Chempluschem; 2016 Apr; 81(4):357-360. PubMed ID: 31968757
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A new computer code to evaluate detonation performance of high explosives and their thermochemical properties, part I.
    Keshavarz MH; Motamedoshariati H; Moghayadnia R; Nazari HR; Azarniamehraban J
    J Hazard Mater; 2009 Dec; 172(2-3):1218-28. PubMed ID: 19713037
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.