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Journal Abstract Search

793 related items for PubMed ID: 21361336

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  • 3. 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
    [Abstract] [Full Text] [Related]

  • 4. Comparing efficiencies of genetic and minima hopping algorithms for crystal structure prediction.
    Ji M, Wang CZ, Ho KM.
    Phys Chem Chem Phys; 2010 Oct 07; 12(37):11617-23. PubMed ID: 20714492
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  • 5. Crystal structure prediction using ab initio evolutionary techniques: principles and applications.
    Oganov AR, Glass CW.
    J Chem Phys; 2006 Jun 28; 124(24):244704. PubMed ID: 16821993
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  • 7. Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications.
    Zhu Q, Oganov AR, Glass CW, Stokes HT.
    Acta Crystallogr B; 2012 Jun 28; 68(Pt 3):215-26. PubMed ID: 22610672
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  • 8. Crystal structure prediction and isostructurality of three small organic halogen compounds.
    Asmadi A, Kendrick J, Leusen FJ.
    Phys Chem Chem Phys; 2010 Aug 14; 12(30):8571-9. PubMed ID: 20532368
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  • 9. [Development of antituberculous drugs: current status and future prospects].
    Tomioka H, Namba K.
    Kekkaku; 2006 Dec 14; 81(12):753-74. PubMed ID: 17240921
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  • 11. The performance of minima hopping and evolutionary algorithms for cluster structure prediction.
    Schönborn SE, Goedecker S, Roy S, Oganov AR.
    J Chem Phys; 2009 Apr 14; 130(14):144108. PubMed ID: 19368430
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  • 12. Evolutionary crystal structure prediction as a tool in materials design.
    Oganov AR, Glass CW.
    J Phys Condens Matter; 2008 Feb 13; 20(6):064210. PubMed ID: 21693872
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  • 14. A new hybrid algorithm for finding the lowest minima of potential surfaces: approach and application to peptides.
    Goldstein M, Fredj E, Gerber RB.
    J Comput Chem; 2011 Jul 15; 32(9):1785-800. PubMed ID: 21455953
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  • 15. Molecular structure, symmetry, and shape as design elements in the fabrication of molecular crystals for second harmonic generation and the role of molecules-in-materials.
    Radhakrishnan TP.
    Acc Chem Res; 2008 Mar 15; 41(3):367-76. PubMed ID: 18260652
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  • 17. How to quantify energy landscapes of solids.
    Oganov AR, Valle M.
    J Chem Phys; 2009 Mar 14; 130(10):104504. PubMed ID: 19292538
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  • 18. Computational design and prediction of interesting not-yet-synthesized structures of inorganic materials by using building unit concepts.
    Mellot-Draznieks C, Girard S, Férey G, Schön JC, Cancarevic Z, Jansen M.
    Chemistry; 2002 Sep 16; 8(18):4102-13. PubMed ID: 12298000
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