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Journal Abstract Search

547 related items for PubMed ID: 20817982

  • 21. Unzipping and binding of small interfering RNA with single walled carbon nanotube: a platform for small interfering RNA delivery.
    Santosh M, Panigrahi S, Bhattacharyya D, Sood AK, Maiti PK.
    J Chem Phys; 2012 Feb 14; 136(6):065106. PubMed ID: 22360226
    [Abstract] [Full Text] [Related]

  • 22. 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]

  • 23. 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]

  • 24. 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]

  • 25. Comparative study of density functionals for the description of lithium-graphite intercalation compounds.
    Lenchuk O, Adelhelm P, Mollenhauer D.
    J Comput Chem; 2019 Oct 15; 40(27):2400-2412. PubMed ID: 31254474
    [Abstract] [Full Text] [Related]

  • 26. 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
    [Abstract] [Full Text] [Related]

  • 27. 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]

  • 28. Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods.
    Ganesh P, Kim J, Park C, Yoon M, Reboredo FA, Kent PR.
    J Chem Theory Comput; 2014 Dec 09; 10(12):5318-23. PubMed ID: 26583215
    [Abstract] [Full Text] [Related]

  • 29. 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]

  • 30. Density functional study of the adsorption and van der Waals binding of aromatic and conjugated compounds on the basal plane of MoS(2).
    Moses PG, Mortensen JJ, Lundqvist BI, Norskov JK.
    J Chem Phys; 2009 Mar 14; 130(10):104709. PubMed ID: 19292551
    [Abstract] [Full Text] [Related]

  • 31. Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo.
    Prayogo GI, Shin H, Benali A, Maezono R, Hongo K.
    ACS Omega; 2021 Sep 28; 6(38):24630-24636. PubMed ID: 34604645
    [Abstract] [Full Text] [Related]

  • 32. van der Waals layer-by-layer construction of a carbon nanotube 2D network.
    Sato M, Sano M.
    Langmuir; 2005 Nov 22; 21(24):11490-4. PubMed ID: 16285831
    [Abstract] [Full Text] [Related]

  • 33. Comparison of the performance of dispersion-corrected density functional theory for weak hydrogen bonds.
    Hujo W, Grimme S.
    Phys Chem Chem Phys; 2011 Aug 21; 13(31):13942-50. PubMed ID: 21594296
    [Abstract] [Full Text] [Related]

  • 34. Dispersion-corrected energy decomposition analysis for intermolecular interactions based on the BLW and dDXDM methods.
    Steinmann SN, Corminboeuf C, Wu W, Mo Y.
    J Phys Chem A; 2011 Jun 02; 115(21):5467-77. PubMed ID: 21557586
    [Abstract] [Full Text] [Related]

  • 35.
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  • 36. Importance of van der Waals interactions in liquid water.
    Lin IC, Seitsonen AP, Coutinho-Neto MD, Tavernelli I, Rothlisberger U.
    J Phys Chem B; 2009 Jan 29; 113(4):1127-31. PubMed ID: 19123911
    [Abstract] [Full Text] [Related]

  • 37. 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]

  • 38. Performance of dispersion-corrected density functional theory for the interactions in ionic liquids.
    Grimme S, Hujo W, Kirchner B.
    Phys Chem Chem Phys; 2012 Apr 14; 14(14):4875-83. PubMed ID: 22378355
    [Abstract] [Full Text] [Related]

  • 39. Calculations of alkane energies using long-range corrected DFT combined with intramolecular van der Waals correlation.
    Song JW, Tsuneda T, Sato T, Hirao K.
    Org Lett; 2010 Apr 02; 12(7):1440-3. PubMed ID: 20218635
    [Abstract] [Full Text] [Related]

  • 40. Rationale for switching to nonlocal functionals in density functional theory.
    Lazić P, Atodiresei N, Caciuc V, Brako R, Gumhalter B, Blügel S.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424215. PubMed ID: 23032957
    [Abstract] [Full Text] [Related]

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