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9. Shock wave-induced phase transition in RDX single crystals. Patterson JE; Dreger ZA; Gupta YM J Phys Chem B; 2007 Sep; 111(37):10897-904. PubMed ID: 17718475 [TBL] [Abstract][Full Text] [Related]
10. Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation. Komeiji Y; Ishikawa T; Mochizuki Y; Yamataka H; Nakano T J Comput Chem; 2009 Jan; 30(1):40-50. PubMed ID: 18504778 [TBL] [Abstract][Full Text] [Related]
11. Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles. Podeszwa R; Rice BM; Szalewicz K Phys Chem Chem Phys; 2009 Jul; 11(26):5512-8. PubMed ID: 19551222 [TBL] [Abstract][Full Text] [Related]
12. Molecular dynamics simulations of hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX) using a combined Sorescu-Rice-Thompson AMBER force field. Agrawal PM; Rice BM; Zheng L; Thompson DL J Phys Chem B; 2006 Dec; 110(51):26185-8. PubMed ID: 17181274 [TBL] [Abstract][Full Text] [Related]
13. Nonreactive molecular dynamics force field for crystalline hexahydro-1,3,5-trinitro-1,3,5 triazine. Boyd S; Gravelle M; Politzer P J Chem Phys; 2006 Mar; 124(10):104508. PubMed ID: 16542089 [TBL] [Abstract][Full Text] [Related]
17. Molecular dynamics study of the structures and properties of RDX/GAP propellant. Li M; Li F; Shen R; Guo X J Hazard Mater; 2011 Feb; 186(2-3):2031-6. PubMed ID: 21237558 [TBL] [Abstract][Full Text] [Related]
18. Viscosity of a room temperature ionic liquid: predictions from nonequilibrium and equilibrium molecular dynamics simulations. Borodin O; Smith GD; Kim H J Phys Chem B; 2009 Apr; 113(14):4771-4. PubMed ID: 19275203 [TBL] [Abstract][Full Text] [Related]
19. Mechanical model of the tubulin dimer based on molecular dynamics simulations. Enemark S; Deriu MA; Soncini M; Redaelli A J Biomech Eng; 2008 Aug; 130(4):041008. PubMed ID: 18601450 [TBL] [Abstract][Full Text] [Related]
20. The elastic constants and related properties of the energetic material cyclotrimethylene trinitramine (RDX) determined by Brillouin scattering. Haycraft JJ; Stevens LL; Eckhardt CJ J Chem Phys; 2006 Jan; 124(2):024712. PubMed ID: 16422631 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]