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278 related items for PubMed ID: 15268143

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  • 4. 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
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  • 8. 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
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  • 9. 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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  • 10. The flexible, polarizable, thole-type interaction potential for water (TTM2-F) revisited.
    Fanourgakis GS, Xantheas SS.
    J Phys Chem A; 2006 Mar 23; 110(11):4100-6. PubMed ID: 16539435
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  • 11. A comparison of rigid and flexible water models in collisions of monomers and small clusters.
    Napari I, Vehkamäki H.
    J Chem Phys; 2006 Sep 07; 125(9):094313. PubMed ID: 16965086
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  • 13. Free energy of solvation of simple ions: molecular-dynamics study of solvation of Cl- and Na+ in the ice/water interface.
    Smith EJ, Bryk T, Haymet AD.
    J Chem Phys; 2005 Jul 15; 123(3):34706. PubMed ID: 16080754
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  • 14. Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions.
    Patel S, Brooks CL.
    J Chem Phys; 2005 Oct 22; 123(16):164502. PubMed ID: 16268707
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  • 15. Liquid-vapor and liquid-liquid phase equilibria of the Brodholt-Sampoli-Vallauri polarizable water model.
    Jedlovszky P, Vallauri R.
    J Chem Phys; 2005 Feb 22; 122(8):81101. PubMed ID: 15836011
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  • 16. Computer simulation of the 13 crystalline phases of ice.
    Baranyai A, Bartók A, Chialvo AA.
    J Chem Phys; 2005 Aug 01; 123(5):054502. PubMed ID: 16108664
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  • 17. 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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  • 18. Structural correlations and motifs in liquid water at selected temperatures: ab initio and empirical model predictions.
    Mantz YA, Chen B, Martyna GJ.
    J Phys Chem B; 2006 Mar 02; 110(8):3540-54. PubMed ID: 16494410
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  • 19. Effect of flexibility on surface tension and coexisting densities of water.
    López-Lemus J, Chapela GA, Alejandre J.
    J Chem Phys; 2008 May 07; 128(17):174703. PubMed ID: 18465932
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  • 20. 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
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