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704 related items for PubMed ID: 25429951

  • 1. Ice and water droplets on graphite: a comparison of quantum and classical simulations.
    Ramírez R, Singh JK, Müller-Plathe F, Böhm MC.
    J Chem Phys; 2014 Nov 28; 141(20):204701. PubMed ID: 25429951
    [Abstract] [Full Text] [Related]

  • 2. Quantum path integral simulation of isotope effects in the melting temperature of ice Ih.
    Ramírez R, Herrero CP.
    J Chem Phys; 2010 Oct 14; 133(14):144511. PubMed ID: 20950021
    [Abstract] [Full Text] [Related]

  • 3. Isotope effects in ice Ih: a path-integral simulation.
    Herrero CP, Ramírez R.
    J Chem Phys; 2011 Mar 07; 134(9):094510. PubMed ID: 21384988
    [Abstract] [Full Text] [Related]

  • 4. The phase diagram of ice Ih, II, and III: a quasi-harmonic study.
    Ramírez R, Neuerburg N, Herrero CP.
    J Chem Phys; 2012 Oct 07; 137(13):134503. PubMed ID: 23039603
    [Abstract] [Full Text] [Related]

  • 5. Quantum effects in liquid water and ice: model dependence.
    Hernández de la Peña L, Kusalik PG.
    J Chem Phys; 2006 Aug 07; 125(5):054512. PubMed ID: 16942231
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  • 6. Quantum effects in ice Ih.
    Hernández de la Peña L, Gulam Razul MS, Kusalik PG.
    J Chem Phys; 2005 Oct 08; 123(14):144506. PubMed ID: 16238406
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  • 7. The Importance of Nuclear Quantum Effects on the Thermodynamic and Structural Properties of Low-Density Amorphous Ice: A Comparison with Hexagonal Ice.
    Eltareb A, Lopez GE, Giovambattista N.
    J Phys Chem B; 2023 May 25; 127(20):4633-4645. PubMed ID: 37178124
    [Abstract] [Full Text] [Related]

  • 8. Surfactant solutions and porous substrates: spreading and imbibition.
    Starov VM.
    Adv Colloid Interface Sci; 2004 Nov 29; 111(1-2):3-27. PubMed ID: 15571660
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  • 9. Quasi-harmonic approximation of thermodynamic properties of ice Ih, II, and III.
    Ramírez R, Neuerburg N, Fernández-Serra MV, Herrero CP.
    J Chem Phys; 2012 Jul 28; 137(4):044502. PubMed ID: 22852626
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  • 10. Molecular dynamics simulations for the motion of evaporative droplets driven by thermal gradients along nanochannels.
    Wu C, Xu X, Qian T.
    J Phys Condens Matter; 2013 May 15; 25(19):195103. PubMed ID: 23552493
    [Abstract] [Full Text] [Related]

  • 11. High-density amorphous ice: a path-integral simulation.
    Herrero CP, Ramírez R.
    J Chem Phys; 2012 Sep 14; 137(10):104505. PubMed ID: 22979872
    [Abstract] [Full Text] [Related]

  • 12. Competing quantum effects in the dynamics of a flexible water model.
    Habershon S, Markland TE, Manolopoulos DE.
    J Chem Phys; 2009 Jul 14; 131(2):024501. PubMed ID: 19603998
    [Abstract] [Full Text] [Related]

  • 13. An application of flexible constraints in Monte Carlo simulations of the isobaric--isothermal ensemble of liquid water and ice Ih with the polarizable and flexible mobile charge densities in harmonic oscillators model.
    Saint-Martin H, Hess B, Berendsen HJ.
    J Chem Phys; 2004 Jun 15; 120(23):11133-43. PubMed ID: 15268143
    [Abstract] [Full Text] [Related]

  • 14. The photoexcitation of crystalline ice and amorphous solid water: A molecular dynamics study of outcomes at 11 K and 125 K.
    Crouse J, Loock HP, Cann NM.
    J Chem Phys; 2015 Jul 21; 143(3):034502. PubMed ID: 26203031
    [Abstract] [Full Text] [Related]

  • 15. Is Water at the Graphite Interface Vapor-like or Ice-like?
    Qiu Y, Lupi L, Molinero V.
    J Phys Chem B; 2018 Apr 05; 122(13):3626-3634. PubMed ID: 29298058
    [Abstract] [Full Text] [Related]

  • 16. Quantum Corrections to Classical Molecular Dynamics Simulations of Water and Ice.
    Waheed Q, Edholm O.
    J Chem Theory Comput; 2011 Sep 13; 7(9):2903-9. PubMed ID: 26605479
    [Abstract] [Full Text] [Related]

  • 17. A classical polarizable model for simulations of water and ice.
    Viererblová L, Kolafa J.
    Phys Chem Chem Phys; 2011 Nov 28; 13(44):19925-35. PubMed ID: 21959694
    [Abstract] [Full Text] [Related]

  • 18. The phase diagram of ice: a quasi-harmonic study based on a flexible water model.
    Ramírez R, Neuerburg N, Herrero CP.
    J Chem Phys; 2013 Aug 28; 139(8):084503. PubMed ID: 24007014
    [Abstract] [Full Text] [Related]

  • 19. SU-E-T-489: Quantum versus Classical Trajectory Monte Carlo Simulations of Low Energy Electron Transport.
    Thomson R, Kawrakow I.
    Med Phys; 2012 Jun 28; 39(6Part17):3817-3818. PubMed ID: 28517446
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  • 20. Nuclear quantum effects in water clusters: the role of the molecular flexibility.
    González BS, Noya EG, Vega C, Sesé LM.
    J Phys Chem B; 2010 Feb 25; 114(7):2484-92. PubMed ID: 20121175
    [Abstract] [Full Text] [Related]

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