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531 related items for PubMed ID: 18688351

  • 1. From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape.
    Price SL.
    Phys Chem Chem Phys; 2008 Apr 21; 10(15):1996-2009. PubMed ID: 18688351
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  • 2. Computed crystal energy landscapes for understanding and predicting organic crystal structures and polymorphism.
    Price SS.
    Acc Chem Res; 2009 Jan 20; 42(1):117-26. PubMed ID: 18925751
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  • 9. Crystallization force--a density functional theory concept for revealing intermolecular interactions and molecular packing in organic crystals.
    Li T, Ayers PW, Liu S, Swadley MJ, Aubrey-Medendorp C.
    Chemistry; 2009 Jan 20; 15(2):361-71. PubMed ID: 19034948
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  • 12. Predictability of the polymorphs of small organic compounds: crystal structure predictions of four benchmark blind test molecules.
    Chan HC, Kendrick J, Leusen FJ.
    Phys Chem Chem Phys; 2011 Dec 07; 13(45):20361-70. PubMed ID: 21993855
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  • 16. Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs.
    Karamertzanis PG, Day GM, Welch GW, Kendrick J, Leusen FJ, Neumann MA, Price SL.
    J Chem Phys; 2008 Jun 28; 128(24):244708. PubMed ID: 18601366
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  • 18. The thermal stability of lattice-energy minima of 5-fluorouracil: metadynamics as an aid to polymorph prediction.
    Karamertzanis PG, Raiteri P, Parrinello M, Leslie M, Price SL.
    J Phys Chem B; 2008 Apr 10; 112(14):4298-308. PubMed ID: 18341322
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  • 20. Persistent hydrogen bonding in polymorphic crystal structures.
    Galek PT, Fábián L, Allen FH.
    Acta Crystallogr B; 2009 Feb 10; 65(Pt 1):68-85. PubMed ID: 19155561
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