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301 related items for PubMed ID: 19071945

  • 1. Short-range order and collective dynamics of poly(vinyl acetate): a combined study by neutron scattering and molecular dynamics simulations.
    Tyagi M, Arbe A, Alvarez F, Colmenero J, González MA.
    J Chem Phys; 2008 Dec 14; 129(22):224903. PubMed ID: 19071945
    [Abstract] [Full Text] [Related]

  • 2. Atomic motions in poly(vinyl methyl ether): A combined study by quasielastic neutron scattering and molecular dynamics simulations in the light of the mode coupling theory.
    Capponi S, Arbe A, Alvarez F, Colmenero J, Frick B, Embs JP.
    J Chem Phys; 2009 Nov 28; 131(20):204901. PubMed ID: 19947703
    [Abstract] [Full Text] [Related]

  • 3. Hydrogen motions in the alpha-relaxation regime of poly(vinyl ethylene): a molecular dynamics simulation and neutron scattering study.
    Narros A, Alvarez F, Arbe A, Colmenero J, Richter D, Farago B.
    J Chem Phys; 2004 Aug 15; 121(7):3282-94. PubMed ID: 15291640
    [Abstract] [Full Text] [Related]

  • 4. Study of the structure and dynamics of poly(vinyl pyrrolidone) by molecular dynamics simulations validated by quasielastic neutron scattering and x-ray diffraction experiments.
    Busselez R, Arbe A, Alvarez F, Colmenero J, Frick B.
    J Chem Phys; 2011 Feb 07; 134(5):054904. PubMed ID: 21303157
    [Abstract] [Full Text] [Related]

  • 5. Study of the dynamics of poly(ethylene oxide) by combining molecular dynamic simulations and neutron scattering experiments.
    Brodeck M, Alvarez F, Arbe A, Juranyi F, Unruh T, Holderer O, Colmenero J, Richter D.
    J Chem Phys; 2009 Mar 07; 130(9):094908. PubMed ID: 19275425
    [Abstract] [Full Text] [Related]

  • 6. Atomic motions in the alphabeta-merging region of 1,4-polybutadiene: a molecular dynamics simulation study.
    Narros A, Arbe A, Alvarez F, Colmenero J, Richter D.
    J Chem Phys; 2008 Jun 14; 128(22):224905. PubMed ID: 18554051
    [Abstract] [Full Text] [Related]

  • 7. Heterogeneous dynamics of poly(vinyl acetate) far above Tg: a combined study by dielectric spectroscopy and quasielastic neutron scattering.
    Tyagi M, Alegría A, Colmenero J.
    J Chem Phys; 2005 Jun 22; 122(24):244909. PubMed ID: 16035818
    [Abstract] [Full Text] [Related]

  • 8. Molecular dynamics simulations of a hyperbranched poly(ester amide): statics, dynamics, and hydrogen bonding.
    Tanis I, Tragoudaras D, Karatasos K, Anastasiadis SH.
    J Phys Chem B; 2009 Apr 23; 113(16):5356-68. PubMed ID: 19331325
    [Abstract] [Full Text] [Related]

  • 9. Understanding the structure of aqueous cesium chloride solutions by combining diffraction experiments, molecular dynamics simulations, and reverse Monte Carlo modeling.
    Mile V, Pusztai L, Dominguez H, Pizio O.
    J Phys Chem B; 2009 Aug 06; 113(31):10760-9. PubMed ID: 19588949
    [Abstract] [Full Text] [Related]

  • 10. Molecular dynamics (MD) simulations and large-angle X-ray scattering (LAXS) studies of the solid-state structure and assembly of isotactic (R)-poly(2,2'-dioxy-1,1'-binaphthyl-)phosphazene in the bulk state and in the cast film.
    Carriedo GA, García Alonso FJ, García Alvarez JL, Lombardo GM, Pappalardo GC, Punzo F.
    Chemistry; 2004 Aug 06; 10(15):3775-82. PubMed ID: 15281162
    [Abstract] [Full Text] [Related]

  • 11. Phenylene ring dynamics in bisphenol-A-polysulfone by neutron scattering.
    Arrese-Igor S, Arbe A, Alegría A, Colmenero J, Frick B.
    J Chem Phys; 2004 Jan 01; 120(1):423-36. PubMed ID: 15267305
    [Abstract] [Full Text] [Related]

  • 12. Influence of water content on structure and mobility of polyvinyl alcohol: a molecular dynamics simulation.
    Sacristan Bermejo J, Mijangos Ugarte C.
    J Chem Phys; 2008 Oct 21; 129(15):154907. PubMed ID: 19045229
    [Abstract] [Full Text] [Related]

  • 13. Chain dynamics of poly(ethylene-alt-propylene) melts by means of coarse-grained simulations based on atomistic molecular dynamics.
    Pérez-Aparicio R, Colmenero J, Alvarez F, Padding JT, Briels WJ.
    J Chem Phys; 2010 Jan 14; 132(2):024904. PubMed ID: 20095706
    [Abstract] [Full Text] [Related]

  • 14. Structure of aqueous proline via parallel tempering molecular dynamics and neutron diffraction.
    Troitzsch RZ, Martyna GJ, McLain SE, Soper AK, Crain J.
    J Phys Chem B; 2007 Jul 19; 111(28):8210-22. PubMed ID: 17592868
    [Abstract] [Full Text] [Related]

  • 15. Structure of liquid n-hexane.
    Venturi G, Formisano F, Cuello GJ, Johnson MR, Pellegrini E, Bafile U, Guarini E.
    J Chem Phys; 2009 Jul 21; 131(3):034508. PubMed ID: 19624210
    [Abstract] [Full Text] [Related]

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  • 17. Structure and dynamics of 1-ethyl-3-methylimidazolium acetate via molecular dynamics and neutron diffraction.
    Bowron DT, D'Agostino C, Gladden LF, Hardacre C, Holbrey JD, Lagunas MC, McGregor J, Mantle MD, Mullan CL, Youngs TG.
    J Phys Chem B; 2010 Jun 17; 114(23):7760-8. PubMed ID: 20481539
    [Abstract] [Full Text] [Related]

  • 18. Effects of pressure on structure and dynamics of model elastomers: a molecular dynamics study.
    Liu J, Wu S, Cao D, Zhang L.
    J Chem Phys; 2008 Oct 21; 129(15):154905. PubMed ID: 19045227
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