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Journal Abstract Search

320 related items for PubMed ID: 20950021

  • 1. 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]

  • 2. 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]

  • 3. 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]

  • 4. 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]

  • 5. 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]

  • 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
    [Abstract] [Full Text] [Related]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface.
    García Fernández R, Abascal JL, Vega C.
    J Chem Phys; 2006 Apr 14; 124(14):144506. PubMed ID: 16626213
    [Abstract] [Full Text] [Related]

  • 9. Melting points and thermal expansivities of proton-disordered hexagonal ice with several model potentials.
    Koyama Y, Tanaka H, Gao G, Zeng XC.
    J Chem Phys; 2004 Oct 22; 121(16):7926-31. PubMed ID: 15485255
    [Abstract] [Full Text] [Related]

  • 10. Quantum path-integral study of the phase diagram and isotope effects of neon.
    Ramírez R, Herrero CP.
    J Chem Phys; 2008 Nov 28; 129(20):204502. PubMed ID: 19045868
    [Abstract] [Full Text] [Related]

  • 11. Characterization of the TIP4P-Ew water model: vapor pressure and boiling point.
    Horn HW, Swope WC, Pitera JW.
    J Chem Phys; 2005 Nov 15; 123(19):194504. PubMed ID: 16321097
    [Abstract] [Full Text] [Related]

  • 12. The melting temperature of the most common models of water.
    Vega C, Sanz E, Abascal JL.
    J Chem Phys; 2005 Mar 15; 122(11):114507. PubMed ID: 15836229
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. 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
    [Abstract] [Full Text] [Related]

  • 15. Kinetic aspects of the thermostatted growth of ice from supercooled water in simulations.
    Weiss VC, Rullich M, Köhler C, Frauenheim T.
    J Chem Phys; 2011 Jul 21; 135(3):034701. PubMed ID: 21787017
    [Abstract] [Full Text] [Related]

  • 16. Path integral calculation of free energies: quantum effects on the melting temperature of neon.
    Ramírez R, Herrero CP, Antonelli A, Hernández ER.
    J Chem Phys; 2008 Aug 14; 129(6):064110. PubMed ID: 18715054
    [Abstract] [Full Text] [Related]

  • 17. Predicting the melting temperature of ice-Ih with only electronic structure information as input.
    Pinnick ER, Erramilli S, Wang F.
    J Chem Phys; 2012 Jul 07; 137(1):014510. PubMed ID: 22779668
    [Abstract] [Full Text] [Related]

  • 18. Calculation of heat capacities of light and heavy water by path-integral molecular dynamics.
    Shiga M, Shinoda W.
    J Chem Phys; 2005 Oct 01; 123(13):134502. PubMed ID: 16223309
    [Abstract] [Full Text] [Related]

  • 19. The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase.
    Aragones JL, Conde MM, Noya EG, Vega C.
    Phys Chem Chem Phys; 2009 Jan 21; 11(3):543-55. PubMed ID: 19283272
    [Abstract] [Full Text] [Related]

  • 20. Melting temperature of ice Ih calculated from coexisting solid-liquid phases.
    Wang J, Yoo S, Bai J, Morris JR, Zeng XC.
    J Chem Phys; 2005 Jul 15; 123(3):36101. PubMed ID: 16080767
    [Abstract] [Full Text] [Related]

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