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Journal Abstract Search

355 related items for PubMed ID: 25933759

  • 21. Role of van der Waals interaction in forming molecule-metal junctions: flat organic molecules on the Au(111) surface.
    Mura M, Gulans A, Thonhauser T, Kantorovich L.
    Phys Chem Chem Phys; 2010 May 14; 12(18):4759-67. PubMed ID: 20428556
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  • 22. Van der Waals coefficients beyond the classical shell model.
    Tao J, Fang Y, Hao P, Scuseria GE, Ruzsinszky A, Perdew JP.
    J Chem Phys; 2015 Jan 14; 142(2):024312. PubMed ID: 25591358
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  • 23. Accurate and efficient method for many-body van der Waals interactions.
    Tkatchenko A, DiStasio RA, Car R, Scheffler M.
    Phys Rev Lett; 2012 Jun 08; 108(23):236402. PubMed ID: 23003978
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  • 25. Spherical-shell model for the van der Waals coefficients between fullerenes and/or nearly spherical nanoclusters.
    Perdew JP, Tao J, Hao P, Ruzsinszky A, Csonka GI, Pitarke JM.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424207. PubMed ID: 23032569
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  • 30. van der Waals density functionals built upon the electron-gas tradition: facing the challenge of competing interactions.
    Berland K, Arter CA, Cooper VR, Lee K, Lundqvist BI, Schröder E, Thonhauser T, Hyldgaard P.
    J Chem Phys; 2014 May 14; 140(18):18A539. PubMed ID: 24832347
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  • 31. 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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  • 32. van der Waals Interaction Energies of Small Fragments of P, As, Sb, S, Se, and Te: Comparison of Complete Basis Set Limit CCSD(T) and DFT with Approximate Dispersion.
    Brndiar J, Štich I.
    J Chem Theory Comput; 2012 Jul 10; 8(7):2301-9. PubMed ID: 26588963
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  • 33. van der Waals interactions are critical in Car-Parrinello molecular dynamics simulations of porphyrin-fullerene dyads.
    Karilainen T, Cramariuc O, Kuisma M, Tappura K, Hukka TI.
    J Comput Chem; 2015 Apr 05; 36(9):612-21. PubMed ID: 25639631
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  • 34. Influence of the van der Waals interaction in the dissociation dynamics of N2 on W(110) from first principles.
    Martin-Gondre L, Juaristi JI, Blanco-Rey M, Díez Muiño R, Alducin M.
    J Chem Phys; 2015 Feb 21; 142(7):074704. PubMed ID: 25702021
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  • 36. Many-body van der Waals interactions in molecules and condensed matter.
    DiStasio RA, Gobre VV, Tkatchenko A.
    J Phys Condens Matter; 2014 May 28; 26(21):213202. PubMed ID: 24805055
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  • 37. Dispersion-corrected density functional theory for aromatic interactions in complex systems.
    Ehrlich S, Moellmann J, Grimme S.
    Acc Chem Res; 2013 Apr 16; 46(4):916-26. PubMed ID: 22702344
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  • 39. Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces.
    Carrasco J, Liu W, Michaelides A, Tkatchenko A.
    J Chem Phys; 2014 Feb 28; 140(8):084704. PubMed ID: 24588188
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