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593 related items for PubMed ID: 20210403

  • 1. Melting point and phase diagram of methanol as obtained from computer simulations of the OPLS model.
    Gonzalez Salgado D, Vega C.
    J Chem Phys; 2010 Mar 07; 132(9):094505. PubMed ID: 20210403
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  • 2. Solid-solid and solid-fluid equilibria of the most popular models of methanol obtained by computer simulation.
    Gonzalez-Salgado D, Dopazo-Paz A, Gomez-Alvarez P, Miguez JM, Vega C.
    J Phys Chem B; 2011 Apr 07; 115(13):3522-30. PubMed ID: 21391704
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  • 9. Determining the phase diagram of water from direct coexistence simulations: the phase diagram of the TIP4P/2005 model revisited.
    Conde MM, Gonzalez MA, Abascal JL, Vega C.
    J Chem Phys; 2013 Oct 21; 139(15):154505. PubMed ID: 24160525
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  • 10. Communication: Tracing phase boundaries via molecular simulation: an alternative to the Gibbs-Duhem integration method.
    Orkoulas G.
    J Chem Phys; 2010 Sep 21; 133(11):111104. PubMed ID: 20866119
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  • 11. 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
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  • 12. Calculation of the melting point of alkali halides by means of computer simulations.
    Aragones JL, Sanz E, Valeriani C, Vega C.
    J Chem Phys; 2012 Sep 14; 137(10):104507. PubMed ID: 22979874
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  • 13. Computing the melting point and thermodynamic stability of the orthorhombic and monoclinic crystalline polymorphs of the ionic liquid 1-n-butyl-3-methylimidazolium chloride.
    Jayaraman S, Maginn EJ.
    J Chem Phys; 2007 Dec 07; 127(21):214504. PubMed ID: 18067361
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  • 16. Can gas hydrate structures be described using classical simulations?
    Conde MM, Vega C, McBride C, Noya EG, Ramírez R, Sesé LM.
    J Chem Phys; 2010 Mar 21; 132(11):114503. PubMed ID: 20331301
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  • 18. Fluid-solid equilibrium of carbon dioxide as obtained from computer simulations of several popular potential models: the role of the quadrupole.
    Pérez-Sánchez G, González-Salgado D, Piñeiro MM, Vega C.
    J Chem Phys; 2013 Feb 28; 138(8):084506. PubMed ID: 23464159
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  • 20. A nonadditive methanol force field: bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model.
    Patel S, Brooks CL.
    J Chem Phys; 2005 Jan 08; 122(2):024508. PubMed ID: 15638599
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