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Journal Abstract Search

326 related items for PubMed ID: 19155561

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  • 3. 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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  • 4. Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam.
    Nowell H, Price SL.
    Acta Crystallogr B; 2005 Oct 28; 61(Pt 5):558-68. PubMed ID: 16186656
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  • 5. 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 Oct 28; 15(2):361-71. PubMed ID: 19034948
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  • 7. Discovering H-bonding rules in crystals with inductive logic programming.
    Ando HY, Dehaspe L, Luyten W, Van Craenenbroeck E, Vandecasteele H, Van Meervelt L.
    Mol Pharm; 2006 Oct 28; 3(6):665-74. PubMed ID: 17140254
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  • 11. A strategy for predicting the crystal structures of flexible molecules: the polymorphism of phenobarbital.
    Day GM, S Motherwell WD, Jones W.
    Phys Chem Chem Phys; 2007 Apr 14; 9(14):1693-704. PubMed ID: 17396181
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  • 12. Universal prediction of intramolecular hydrogen bonds in organic crystals.
    Galek PT, Fábián L, Allen FH.
    Acta Crystallogr B; 2010 Apr 14; 66(Pt 2):237-52. PubMed ID: 20305358
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  • 14. Interplay between molecular conformation and intermolecular interactions in conformational polymorphism: a molecular perspective from electronic calculations of tolfenamic acid.
    Mattei A, Li T.
    Int J Pharm; 2011 Oct 14; 418(2):179-86. PubMed ID: 21570454
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  • 15. 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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  • 17. Structure, stability, and dynamics of canonical and noncanonical base pairs: quantum chemical studies.
    Roy A, Panigrahi S, Bhattacharyya M, Bhattacharyya D.
    J Phys Chem B; 2008 Mar 27; 112(12):3786-96. PubMed ID: 18318519
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  • 20. Hierarchy of supramolecular synthons: persistent hydroxyl...pyridine hydrogen bonds in cocrystals that contain a cyano acceptor.
    Bis JA, Vishweshwar P, Weyna D, Zaworotko MJ.
    Mol Pharm; 2007 Mar 27; 4(3):401-16. PubMed ID: 17500564
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