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Journal Abstract Search

351 related items for PubMed ID: 25978530

  • 1. van der Waals forces in density functional theory: a review of the vdW-DF method.
    Berland K, Cooper VR, Lee K, Schröder E, Thonhauser T, Hyldgaard P, Lundqvist BI.
    Rep Prog Phys; 2015 Jun; 78(6):066501. PubMed ID: 25978530
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  • 4. Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions.
    Shimojo F, Wu Z, Nakano A, Kalia RK, Vashishta P.
    J Chem Phys; 2010 Mar 07; 132(9):094106. PubMed ID: 20210388
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  • 6. Improved description of soft layered materials with van der Waals density functional theory.
    Graziano G, Klimeš J, Fernandez-Alonso F, Michaelides A.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424216. PubMed ID: 23032994
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  • 8. Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set.
    Vydrov OA, Wu Q, Van Voorhis T.
    J Chem Phys; 2008 Jul 07; 129(1):014106. PubMed ID: 18624469
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  • 10. Density-functional description of polymer crystals: A comparative study of recent van der Waals functionals.
    Pham TH, Ramprasad R, Nguyen HV.
    J Chem Phys; 2016 Jun 07; 144(21):214905. PubMed ID: 27276968
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  • 11. Perspectives on van der Waals Density Functionals: The Case of TiS2.
    Krogel JT, Yuk SF, Kent PRC, Cooper VR.
    J Phys Chem A; 2020 Nov 25; 124(47):9867-9876. PubMed ID: 33190498
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  • 13. GGA versus van der Waals density functional results for mixed gold/mercury molecules and pure Au and Hg cluster properties.
    Fernández EM, Balbás LC.
    Phys Chem Chem Phys; 2011 Dec 14; 13(46):20863-70. PubMed ID: 22006277
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  • 16. Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers.
    Kelkkanen AK, Lundqvist BI, Nørskov JK.
    J Chem Phys; 2009 Jul 28; 131(4):046102. PubMed ID: 19655929
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  • 18. 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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