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Journal Abstract Search

678 related items for PubMed ID: 21386245

  • 1. Chemical accuracy for the van der Waals density functional.
    Klimeš J, Bowler DR, Michaelides A.
    J Phys Condens Matter; 2010 Jan 20; 22(2):022201. PubMed ID: 21386245
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  • 4. Physisorption of nucleobases on graphene: a comparative van der Waals study.
    Le D, Kara A, Schröder E, Hyldgaard P, Rahman TS.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424210. PubMed ID: 23032709
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  • 6. Structure and stability of weakly chemisorbed ethene adsorbed on low-index Cu surfaces: performance of density functionals with van der Waals interactions.
    Hanke F, Dyer MS, Björk J, Persson M.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424217. PubMed ID: 23031831
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  • 11. Structural evolution of amino acid crystals under stress from a non-empirical density functional.
    Sabatini R, Küçükbenli E, Kolb B, Thonhauser T, de Gironcoli S.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424209. PubMed ID: 23032667
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  • 16. Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability.
    Schwabe T, Grimme S.
    Phys Chem Chem Phys; 2007 Jul 14; 9(26):3397-406. PubMed ID: 17664963
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  • 17. Alkane adsorption in Na-exchanged chabazite: the influence of dispersion forces.
    Göltl F, Hafner J.
    J Chem Phys; 2011 Feb 14; 134(6):064102. PubMed ID: 21322656
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  • 19. Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations.
    Jurecka P, Cerný J, Hobza P, Salahub DR.
    J Comput Chem; 2007 Jan 30; 28(2):555-69. PubMed ID: 17186489
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