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Journal Abstract Search

701 related items for PubMed ID: 23032709

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. Binding of DNA nucleobases and nucleosides with graphene.
    Varghese N, Mogera U, Govindaraj A, Das A, Maiti PK, Sood AK, Rao CN.
    Chemphyschem; 2009 Jan 12; 10(1):206-10. PubMed ID: 18814150
    [Abstract] [Full Text] [Related]

  • 3. A van der Waals density functional study of adenine on graphene: single-molecular adsorption and overlayer binding.
    Berland K, Chakarova-Käck SD, Cooper VR, Langreth DC, Schröder E.
    J Phys Condens Matter; 2011 Apr 06; 23(13):135001. PubMed ID: 21403239
    [Abstract] [Full Text] [Related]

  • 4. Density, structure, and dynamics of water: the effect of van der Waals interactions.
    Wang J, Román-Pérez G, Soler JM, Artacho E, Fernández-Serra MV.
    J Chem Phys; 2011 Jan 14; 134(2):024516. PubMed ID: 21241129
    [Abstract] [Full Text] [Related]

  • 5. Adsorption of DNA/RNA nucleobases on hexagonal boron nitride sheet: an ab initio study.
    Lin Q, Zou X, Zhou G, Liu R, Wu J, Li J, Duan W.
    Phys Chem Chem Phys; 2011 Jul 14; 13(26):12225-30. PubMed ID: 21637870
    [Abstract] [Full Text] [Related]

  • 6. 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
    [Abstract] [Full Text] [Related]

  • 7. Dynamical screening of the van der Waals interaction between graphene layers.
    Dappe YJ, Bolcatto PG, Ortega J, Flores F.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424208. PubMed ID: 23032606
    [Abstract] [Full Text] [Related]

  • 8. 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
    [Abstract] [Full Text] [Related]

  • 9. Ab initio and semi-empirical van der Waals study of graphene-boron nitride interaction from a molecular point of view.
    Caciuc V, Atodiresei N, Callsen M, Lazić P, Blügel S.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424214. PubMed ID: 23032913
    [Abstract] [Full Text] [Related]

  • 10. Accurate and efficient calculation of van der Waals interactions within density functional theory by local atomic potential approach.
    Sun YY, Kim YH, Lee K, Zhang SB.
    J Chem Phys; 2008 Oct 21; 129(15):154102. PubMed ID: 19045171
    [Abstract] [Full Text] [Related]

  • 11. 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
    [Abstract] [Full Text] [Related]

  • 12. CO2 capture by metal-organic frameworks with van der Waals density functionals.
    Poloni R, Smit B, Neaton JB.
    J Phys Chem A; 2012 May 24; 116(20):4957-64. PubMed ID: 22519821
    [Abstract] [Full Text] [Related]

  • 13. 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
    [Abstract] [Full Text] [Related]

  • 14. Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2 molecules on Cu(111), (100) and (110) surfaces.
    Lee K, Berland K, Yoon M, Andersson S, Schröder E, Hyldgaard P, Lundqvist BI.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424213. PubMed ID: 23032859
    [Abstract] [Full Text] [Related]

  • 15. Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions.
    Amft M, Lebègue S, Eriksson O, Skorodumova NV.
    J Phys Condens Matter; 2011 Oct 05; 23(39):395001. PubMed ID: 21891833
    [Abstract] [Full Text] [Related]

  • 16. Including screening in van der Waals corrected density functional theory calculations: the case of atoms and small molecules physisorbed on graphene.
    Silvestrelli PL, Ambrosetti A.
    J Chem Phys; 2014 Mar 28; 140(12):124107. PubMed ID: 24697424
    [Abstract] [Full Text] [Related]

  • 17. 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
    [Abstract] [Full Text] [Related]

  • 18. Structure and binding in crystals of cagelike molecules: hexamine and platonic hydrocarbons.
    Berland K, Hyldgaard P.
    J Chem Phys; 2010 Apr 07; 132(13):134705. PubMed ID: 20387952
    [Abstract] [Full Text] [Related]

  • 19. The role of van der Waals interactions in the adsorption of noble gases on metal surfaces.
    Chen DL, Al-Saidi WA, Johnson JK.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424211. PubMed ID: 23032730
    [Abstract] [Full Text] [Related]

  • 20. A density functional for sparse matter.
    Langreth DC, Lundqvist BI, Chakarova-Käck SD, Cooper VR, Dion M, Hyldgaard P, Kelkkanen A, Kleis J, Kong L, Li S, Moses PG, Murray E, Puzder A, Rydberg H, Schröder E, Thonhauser T.
    J Phys Condens Matter; 2009 Feb 25; 21(8):084203. PubMed ID: 21817355
    [Abstract] [Full Text] [Related]

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