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Journal Abstract Search

560 related items for PubMed ID: 26575731

  • 1. Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions.
    Fischer NM, van Maaren PJ, Ditz JC, Yildirim A, van der Spoel D.
    J Chem Theory Comput; 2015 Jul 14; 11(7):2938-44. PubMed ID: 26575731
    [Abstract] [Full Text] [Related]

  • 2. Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant.
    Caleman C, van Maaren PJ, Hong M, Hub JS, Costa LT, van der Spoel D.
    J Chem Theory Comput; 2012 Jan 10; 8(1):61-74. PubMed ID: 22241968
    [Abstract] [Full Text] [Related]

  • 3. Surface Tension of Organic Liquids Using the OPLS/AA Force Field.
    Zubillaga RA, Labastida A, Cruz B, Martínez JC, Sánchez E, Alejandre J.
    J Chem Theory Comput; 2013 Mar 12; 9(3):1611-5. PubMed ID: 26587622
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  • 4. Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations.
    Sagui C, Pedersen LG, Darden TA.
    J Chem Phys; 2004 Jan 01; 120(1):73-87. PubMed ID: 15267263
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  • 6. Efficient optimization of van der Waals parameters from bulk properties.
    Burger SK, Cisneros GA.
    J Comput Chem; 2013 Oct 15; 34(27):2313-9. PubMed ID: 23828265
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  • 7. Pairwise Alternatives to Ewald Summation for Calculating Long-Range Electrostatics in Ionic Liquids.
    McCann BW, Acevedo O.
    J Chem Theory Comput; 2013 Feb 12; 9(2):944-50. PubMed ID: 26588737
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  • 9. Accurate thermodynamics for short-ranged truncations of Coulomb interactions in site-site molecular models.
    Rodgers JM, Weeks JD.
    J Chem Phys; 2009 Dec 28; 131(24):244108. PubMed ID: 20059055
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  • 10. Polarizable Force Field with a σ-Hole for Liquid and Aqueous Bromomethane.
    Adluri AN, Murphy JN, Tozer T, Rowley CN.
    J Phys Chem B; 2015 Oct 22; 119(42):13422-32. PubMed ID: 26419599
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  • 17. On the accuracy of force fields for predicting the physical properties of dimethylnitramine.
    Zheng L, Thompson DL.
    J Phys Chem B; 2006 Aug 17; 110(32):16082-8. PubMed ID: 16898765
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  • 19. Biomolecular force fields: where have we been, where are we now, where do we need to go and how do we get there?
    Dauber-Osguthorpe P, Hagler AT.
    J Comput Aided Mol Des; 2019 Feb 17; 33(2):133-203. PubMed ID: 30506158
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