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340 related items for PubMed ID: 21553909

  • 1. Thermodynamic, diffusional, and structural anomalies in rigid-body water models.
    Agarwal M, Alam MP, Chakravarty C.
    J Phys Chem B; 2011 Jun 02; 115(21):6935-45. PubMed ID: 21553909
    [Abstract] [Full Text] [Related]

  • 2. Relationship between structural order and the anomalies of liquid water.
    Errington JR, Debenedetti PG.
    Nature; 2001 Jan 18; 409(6818):318-21. PubMed ID: 11201735
    [Abstract] [Full Text] [Related]

  • 3. Common features of orientational order at the temperature of maximum density for various water models: molecular dynamics study.
    Jhon YI, No KT, Jhon MS.
    J Phys Chem B; 2007 Aug 23; 111(33):9897-9. PubMed ID: 17672501
    [Abstract] [Full Text] [Related]

  • 4. Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium.
    Dhabal D, Chakravarty C, Molinero V, Kashyap HK.
    J Chem Phys; 2016 Dec 07; 145(21):214502. PubMed ID: 28799375
    [Abstract] [Full Text] [Related]

  • 5. Diffusion anomaly and dynamic transitions in the Bell-Lavis water model.
    Szortyka MM, Fiore CE, Henriques VB, Barbosa MC.
    J Chem Phys; 2010 Sep 14; 133(10):104904. PubMed ID: 20849189
    [Abstract] [Full Text] [Related]

  • 6. Tetrahedral order, pair correlation entropy, and waterlike liquid state anomalies: comparison of GeO2 with BeF2, SiO2, and H2O.
    Jabes BS, Agarwal M, Chakravarty C.
    J Chem Phys; 2010 Jun 21; 132(23):234507. PubMed ID: 20572721
    [Abstract] [Full Text] [Related]

  • 7. Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization.
    Lu J, Qiu Y, Baron R, Molinero V.
    J Chem Theory Comput; 2014 Sep 09; 10(9):4104-20. PubMed ID: 26588552
    [Abstract] [Full Text] [Related]

  • 8. Comparison of Tetrahedral Order, Liquid State Anomalies, and Hydration Behavior of mTIP3P and TIP4P Water Models.
    Nayar D, Agarwal M, Chakravarty C.
    J Chem Theory Comput; 2011 Oct 11; 7(10):3354-67. PubMed ID: 26598167
    [Abstract] [Full Text] [Related]

  • 9. Ionic melts with waterlike anomalies: thermodynamic properties of liquid BeF2.
    Agarwal M, Sharma R, Chakravarty C.
    J Chem Phys; 2007 Oct 28; 127(16):164502. PubMed ID: 17979355
    [Abstract] [Full Text] [Related]

  • 10. Temperature dependence of the hydrophobic hydration and interaction of simple solutes: an examination of five popular water models.
    Paschek D.
    J Chem Phys; 2004 Apr 08; 120(14):6674-90. PubMed ID: 15267560
    [Abstract] [Full Text] [Related]

  • 11. Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation.
    Guevara-Carrion G, Vrabec J, Hasse H.
    J Chem Phys; 2011 Feb 21; 134(7):074508. PubMed ID: 21341860
    [Abstract] [Full Text] [Related]

  • 12. Sensitivity of local hydration behaviour and conformational preferences of peptides to choice of water model.
    Nayar D, Chakravarty C.
    Phys Chem Chem Phys; 2014 Jun 07; 16(21):10199-213. PubMed ID: 24695799
    [Abstract] [Full Text] [Related]

  • 13. Waterlike structural and excess entropy anomalies in liquid beryllium fluoride.
    Agarwal M, Chakravarty C.
    J Phys Chem B; 2007 Nov 22; 111(46):13294-300. PubMed ID: 17963376
    [Abstract] [Full Text] [Related]

  • 14. Water structure-forming capabilities are temperature shifted for different models.
    Shevchuk R, Prada-Gracia D, Rao F.
    J Phys Chem B; 2012 Jun 28; 116(25):7538-43. PubMed ID: 22651887
    [Abstract] [Full Text] [Related]

  • 15. Density dependence of the entropy and the solvation shell structure in supercritical water via molecular dynamics simulation.
    Ma H.
    J Chem Phys; 2012 Jun 07; 136(21):214501. PubMed ID: 22697552
    [Abstract] [Full Text] [Related]

  • 16. Hydrophobic collapse and cold denaturation in the Jagla model of water.
    Buldyrev SV, Kumar P, Sastry S, Stanley HE, Weiner S.
    J Phys Condens Matter; 2010 Jul 21; 22(28):284109. PubMed ID: 21399281
    [Abstract] [Full Text] [Related]

  • 17. Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.
    Lin ST, Maiti PK, Goddard WA.
    J Phys Chem B; 2010 Jun 24; 114(24):8191-8. PubMed ID: 20504009
    [Abstract] [Full Text] [Related]

  • 18. 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
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  • 19. Assessing thermodynamic-dynamic relationships for waterlike liquids.
    Johnson ME, Head-Gordon T.
    J Chem Phys; 2009 Jun 07; 130(21):214510. PubMed ID: 19508079
    [Abstract] [Full Text] [Related]

  • 20. Water and other tetrahedral liquids: order, anomalies and solvation.
    Jabes BS, Nayar D, Dhabal D, Molinero V, Chakravarty C.
    J Phys Condens Matter; 2012 Jul 18; 24(28):284116. PubMed ID: 22739063
    [Abstract] [Full Text] [Related]

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