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.
42. 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]
44. Corner turning and shock desensitization experiments plus numerical modeling of detonation waves in the triaminotrinitrobenzene based explosive LX-17. Tarver CM J Phys Chem A; 2010 Mar; 114(8):2727-36. PubMed ID: 20141191 [TBL] [Abstract][Full Text] [Related]
45. Sub-picosecond to Sub-nanosecond Vibrational Energy Transfer Dynamics in Pentaerythritol Tetranitrate. Cole-Filipiak NC; Knepper R; Wood M; Ramasesha K J Phys Chem Lett; 2020 Aug; 11(16):6664-6669. PubMed ID: 32787226 [TBL] [Abstract][Full Text] [Related]
46. Ab initio study of energy transfer rates and impact sensitivities of crystalline explosives. Bernstein J J Chem Phys; 2018 Feb; 148(8):084502. PubMed ID: 29495760 [TBL] [Abstract][Full Text] [Related]
47. Achieving tunable chemical reactivity through photo-initiation of energetic materials at metal oxide surfaces. Kuklja MM; Tsyshevsky R; Zverev AS; Mitrofanov A; Ilyakova N; Nurmukhametov DR; Rashkeev SN Phys Chem Chem Phys; 2020 Nov; 22(43):25284-25296. PubMed ID: 33136098 [TBL] [Abstract][Full Text] [Related]
48. Degradation of pentaerythritol tetranitrate (PETN) by granular iron. Zhuang L; Gui L; Gillham RW Environ Sci Technol; 2008 Jun; 42(12):4534-9. PubMed ID: 18605582 [TBL] [Abstract][Full Text] [Related]
49. A Computational Fluid Dynamics approach for air blast propagation using OpenFOAM and Becker-Kistiakowsky-Wilson equation of state. Noorpoor Z; Tavangar S; Soury H; Hosseini SG Heliyon; 2020 Dec; 6(12):e05852. PubMed ID: 33426341 [TBL] [Abstract][Full Text] [Related]
50. Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures. Lütgert J; Vorberger J; Hartley NJ; Voigt K; Rödel M; Schuster AK; Benuzzi-Mounaix A; Brown S; Cowan TE; Cunningham E; Döppner T; Falcone RW; Fletcher LB; Galtier E; Glenzer SH; Laso Garcia A; Gericke DO; Heimann PA; Lee HJ; McBride EE; Pelka A; Prencipe I; Saunders AM; Schölmerich M; Schörner M; Sun P; Vinci T; Ravasio A; Kraus D Sci Rep; 2021 Jun; 11(1):12883. PubMed ID: 34145307 [TBL] [Abstract][Full Text] [Related]
51. Investigating the electronic structure of high explosives with X-ray Raman spectroscopy. Paredes-Mellone OA; Nielsen MH; Vinson J; Moua K; Skoien KD; Sokaras D; Willey TM Sci Rep; 2022 Nov; 12(1):19460. PubMed ID: 36376464 [TBL] [Abstract][Full Text] [Related]
53. Benchmarking the DFT+U method for thermochemical calculations of uranium molecular compounds and solids. Beridze G; Kowalski PM J Phys Chem A; 2014 Dec; 118(50):11797-810. PubMed ID: 25412189 [TBL] [Abstract][Full Text] [Related]
54. Hydrogen Transfer in Energetic Materials from ReaxFF and DFT Calculations. Sergeev OV; Yanilkin AV J Phys Chem A; 2017 Apr; 121(16):3019-3027. PubMed ID: 28351144 [TBL] [Abstract][Full Text] [Related]
55. Ab Initio Calculations for Molecule-Surface Interactions with Chemical Accuracy. Sauer J Acc Chem Res; 2019 Dec; 52(12):3502-3510. PubMed ID: 31765121 [TBL] [Abstract][Full Text] [Related]
57. A simple method for the prediction of the detonation performances of metal-containing explosives. Wang Y; Zhang J; Su H; Li S; Zhang S; Pang S J Phys Chem A; 2014 Jun; 118(25):4575-81. PubMed ID: 24884865 [TBL] [Abstract][Full Text] [Related]
59. Assessment of various DFT, DFT-D, and MP2 methods for studying FOX-7 detonation properties. Jeong K; Jeon Y; Kwon S J Mol Model; 2017 Sep; 23(9):250. PubMed ID: 28770360 [TBL] [Abstract][Full Text] [Related]
60. Prediction of heat of formation and related parameters of high energy materials. Muthurajan H; Sivabalan R; Talawar MB; Anniyappan M; Venugopalan S J Hazard Mater; 2006 May; 133(1-3):30-45. PubMed ID: 16300883 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]