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355 related items for PubMed ID: 25933759

  • 1. Dynamical screening of van der Waals interactions in nanostructured solids: Sublimation of fullerenes.
    Tao J, Yang J, Rappe AM.
    J Chem Phys; 2015 Apr 28; 142(16):164302. PubMed ID: 25933759
    [Abstract] [Full Text] [Related]

  • 2. 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 28; 78(6):066501. PubMed ID: 25978530
    [Abstract] [Full Text] [Related]

  • 3. Electronic Exchange and Correlation in van der Waals Systems: Balancing Semilocal and Nonlocal Energy Contributions.
    Hermann J, Tkatchenko A.
    J Chem Theory Comput; 2018 Mar 13; 14(3):1361-1369. PubMed ID: 29447445
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 5. 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]

  • 6. Physical adsorption: theory of van der Waals interactions between particles and clean surfaces.
    Tao J, Rappe AM.
    Phys Rev Lett; 2014 Mar 14; 112(10):106101. PubMed ID: 24679308
    [Abstract] [Full Text] [Related]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. Comparing van der Waals DFT methods for water on NaCl(001) and MgO(001).
    Kebede GG, Spångberg D, Mitev PD, Broqvist P, Hermansson K.
    J Chem Phys; 2017 Feb 14; 146(6):064703. PubMed ID: 28201901
    [Abstract] [Full Text] [Related]

  • 9. Van der Waals-corrected density functional theory: benchmarking for hydrogen-nanotube and nanotube-nanotube interactions.
    Du AJ, Smith SC.
    Nanotechnology; 2005 Oct 14; 16(10):2118-23. PubMed ID: 20817982
    [Abstract] [Full Text] [Related]

  • 10. 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]

  • 11. The electronic properties of superatom states of hollow molecules.
    Feng M, Zhao J, Huang T, Zhu X, Petek H.
    Acc Chem Res; 2011 May 17; 44(5):360-8. PubMed ID: 21413734
    [Abstract] [Full Text] [Related]

  • 12. Modeling adsorption and reactions of organic molecules at metal surfaces.
    Liu W, Tkatchenko A, Scheffler M.
    Acc Chem Res; 2014 Nov 18; 47(11):3369-77. PubMed ID: 24915492
    [Abstract] [Full Text] [Related]

  • 13. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
    Göltl F, Grüneis A, Bučko T, Hafner J.
    J Chem Phys; 2012 Sep 21; 137(11):114111. PubMed ID: 22998253
    [Abstract] [Full Text] [Related]

  • 14. Comparative study of van der Waals corrections to the bulk properties of graphite.
    Rêgo CR, Oliveira LN, Tereshchuk P, Da Silva JL.
    J Phys Condens Matter; 2015 Oct 21; 27(41):415502. PubMed ID: 26417925
    [Abstract] [Full Text] [Related]

  • 15. Communication: Accurate higher-order van der Waals coefficients between molecules from a model dynamic multipole polarizability.
    Tao J, Rappe AM.
    J Chem Phys; 2016 Jan 21; 144(3):031102. PubMed ID: 26801013
    [Abstract] [Full Text] [Related]

  • 16. van der Waals density functionals applied to corundum-type sesquioxides: bulk properties and adsorption of CH3 and C6H6 on (0001) surfaces.
    Dabaghmanesh S, Neyts EC, Partoens B.
    Phys Chem Chem Phys; 2016 Aug 17; 18(33):23139-46. PubMed ID: 27494541
    [Abstract] [Full Text] [Related]

  • 17. 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]

  • 18. 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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  • 19. A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach.
    Hermann J, Bludský O.
    J Chem Phys; 2013 Jul 21; 139(3):034115. PubMed ID: 23883018
    [Abstract] [Full Text] [Related]

  • 20. The interplay of van der Waals and weak chemical forces in the adsorption of salicylic acid on NaCl(001).
    Chen W, Tegenkamp C, Pfnür H, Bredow T.
    Phys Chem Chem Phys; 2009 Nov 07; 11(41):9337-40. PubMed ID: 19830314
    [Abstract] [Full Text] [Related]

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