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Journal Abstract Search

94 related items for PubMed ID: 20420410

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  • 4. Anisotropic united atom model including the electrostatic interactions of benzene.
    Bonnaud P, Nieto-Draghi C, Ungerer P.
    J Phys Chem B; 2007 Apr 12; 111(14):3730-41. PubMed ID: 17388536
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  • 6. A molecular model for H(2) interactions in aliphatic and aromatic hydrocarbons.
    Figueroa-Gerstenmaier S, Giudice S, Cavallo L, Milano G.
    Phys Chem Chem Phys; 2009 May 28; 11(20):3935-42. PubMed ID: 19440622
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  • 8. Set of molecular models based on quantum mechanical ab initio calculations and thermodynamic data.
    Eckl B, Vrabec J, Hasse H.
    J Phys Chem B; 2008 Oct 09; 112(40):12710-21. PubMed ID: 18793022
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  • 9. Interatomic Lennard-Jones potentials of linear and branched alkanes calibrated by Gibbs ensemble simulations for vapor-liquid equilibria.
    Chang J, Sandler SI.
    J Chem Phys; 2004 Oct 15; 121(15):7474-83. PubMed ID: 15473822
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  • 10. Calculation of the surface tension of cyclic and aromatic hydrocarbons from Monte Carlo simulations using an anisotropic united atom model (AUA).
    Biscay F, Ghoufi A, Lachet V, Malfreyt P.
    Phys Chem Chem Phys; 2009 Aug 07; 11(29):6132-47. PubMed ID: 19606323
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  • 12. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA, Jagielska A, Scheraga HA.
    J Phys Chem B; 2006 Mar 16; 110(10):5025-44. PubMed ID: 16526746
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  • 17. The delocalization index as an electronic aromaticity criterion: application to a series of planar polycyclic aromatic hydrocarbons.
    Poater J, Fradera X, Duran M, Solà M.
    Chemistry; 2003 Jan 20; 9(2):400-6. PubMed ID: 12532288
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  • 19. The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization.
    Matito E, Duran M, Solà M.
    J Chem Phys; 2005 Jan 01; 122(1):14109. PubMed ID: 15638644
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  • 20. Aromatic gold and silver "rings": hydrosilver(I) and hydrogold(I) analogues of aromatic hydrocarbons.
    Tsipis CA, Karagiannis EE, Kladou PF, Tsipis AC.
    J Am Chem Soc; 2004 Oct 13; 126(40):12916-29. PubMed ID: 15469289
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